Coumarin

Coumarin

SCHEMBL2533286

O.O=c1ccc2ccccc2o1.O=c1ccc2ccccc2o1

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Coumarin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 3/20 0.52
DRD4 known ✓ P21917 1/20 0.49
ACHE known ✓ P22303 1/20 0.47
PTGS1 known ✓ P23219 1/20 0.47
CA12 O43570 11/20 0.95
CA9 Q16790 11/20 0.95
CA1 P00915 7/20 0.95
CA3 P07451 7/20 0.95
CA4 P22748 7/20 0.95
CA7 P43166 7/20 0.95
CA14 Q9ULX7 7/20 0.95
CA5A P35218 6/20 0.95
CA6 P23280 6/20 0.95
CA5B Q9Y2D0 5/20 0.95
CA2 P00918 5/20 0.95
MCL1 Q07820 4/20 0.95
TDP1 Q9NUW8 3/20 0.95
LMNA P02545 3/20 0.95
SOST Q9BQB4 1/20 0.95
PGR P06401 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Coumarin SCHEMBL6920202 1.00 CA12 (0.95) CA12CA9CA1CA3CA4
Coumarin SCHEMBL30641021 1.00 CA12 (0.95) CA12CA9CA1CA3CA4
Coumarin SCHEMBL5996993 0.98 CA12 (0.91) CA12CA9CA1CA3CA4
Coumarin SCHEMBL29385611 0.98 CA12 (1.00) CA12CA9CA1CA3CA4
Coumarin SCHEMBL28886137 0.98 CA12 (1.00) CA12CA9CA1CA3CA4
Coumarin SCHEMBL3441294 0.98 CA12 (1.00) CA12CA9CA1CA3CA4
Coumarin SCHEMBL6252 0.98 CA12 (1.00) CA12CA9CA1CA3CA4
Coumarin SCHEMBL1038138 0.98 CA12 (1.00) CA12CA9CA1CA3CA4
Coumarin SCHEMBL621751 0.98 CA12 (1.00) CA12CA9CA1CA3CA4
Coumarin SCHEMBL28031527 0.96 CA12 (0.87) CA12CA9CA1CA3CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101703239-A Novel agents for preventing and treating disorders connected to impaired neurotransmission DSM IP ASSETS BV 2010-05-12 CN claimed
EP-1802298-B1 NOVEL AGENTS FOR PREVENTING AND TREATING DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION DSM IP ASSETS BV (NL) 2008-12-31 EP claimed
US-20070293563-A1 Novel Agents for Preventing and Treating Disorders Connected to Impaired Neurotransmission DSM IP ASSETS B.V. (NL) 2007-12-20 US claimed
CN-101043886-A Novel agents for the prevention and treatment of disorders associated with impaired neurotransmission DSM IP ASSETS BV (NL) 2007-09-26 CN claimed
EP-1802298-A2 NOVEL AGENTS FOR PREVENTING AND TREATING DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION DSMIP Assets B.V. (NL) 2007-07-04 EP claimed
WO-2006042441-A2 NOVEL AGENTS FOR PREVENTING AND TREATING DISORDERS CONNECTED TO IMPAIRED NEUROTRANSMISSION DSM IP ASSETS B.V. (NL) 2006-04-27 WO claimed
US-11725222-B2 Cleavable nucleotide analogs and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-15 US disclosed
US-20200080122-A1 Cleavable Nucleotide Analogs and Uses Thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2020-03-12 US disclosed
EP-3097904-B1 DEPIGMENTING AGENTS TO LIGHTEN THE SKIN AFFICHEM (FR) 2019-08-14 EP disclosed
CN-108452204-A Aromatic oil and its application process are compounded for reducing the atomization cabin of blood pressure, plant 南京大塘金药用与芳香植物研究所 2018-08-28 CN disclosed
WO-2018102554-A1 CLEAVABLE NUCLEOTIDE ANALOGS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-07 WO disclosed
CN-103300358-A Health care product capable of improving immunity UNIV TIANJIN 2013-09-18 CN disclosed
WO-2013003168-A1 NOVEL INSECT-REPELLENT COUMARIN DERIVATIVES, SYNTHESES, AND METHODS OF USE MERIAL LIMITED (US) 2013-01-03 WO disclosed
US-4391088-A String for sports rackets UNITED STATES TENNIS GUT ASSOCIATION, INC. (US) 1983-07-05 US disclosed
US-4273833-A AQUEOUS SOLUTION OR DISPERSION OF A CARBOXYLATED HYDROPHILIC ACRYLIC COPOLYMER, A CROSSLINKING AGENT, A POLYALKYENEPOLYAMINE OR DERIVATIVE, AND AN ULTRAVIOLET ABSORBING AGENT UNITED STATES TRADING INTERNATIONAL, INC. (US) 1981-06-16 US disclosed
US-4169902-A CARBOXYLATED ACRYLIC COPOLYMER, CROSSLINKING AGENT, ULTRAVIOLET RADIATION ABSORBER UNITED STATES TRADING INTERNATIONAL, INC. (US) 1979-10-02 US disclosed
US-4094845-A PLANTS, CARBOXYLATED HYDROPHILIC ACRYLIC POLYMER, CROSSLINKING AGENT AND AN ULTRAVIOLET ABSORBER UNITED STATES TRADING INTERNATIONAL, INC. (US) 1978-06-13 US disclosed
US-4082884-A METHOD OF REDUCING FOULING OF MARINE STRUCTURES AND COATED STRUCTURE THEREOF UNITED STATES TRADING INTERNATIONAL, INC. (US) 1978-04-04 US disclosed
US-4049869-A CROSSLINKING A CARBOXYLATED HYDROPHILIC ACRYLIC POLYMER UNITED STATES TRADING INTERNATIONAL, INC. (US) 1977-09-20 US disclosed
US-3712947-A COMPOSITIONS CONTAINING COUMARIN ETHER SUN-SCREENING COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 1973-01-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293563-A1 Novel Agents for Preventing and Treating Disorders Connected to Impaired Neurotransmission CHRNA2, CHRM1, CHRM5 MEN1 2741/4885DRD4 141/4885ACHE 34/4885
US-20200080122-A1 Cleavable Nucleotide Analogs and Uses Thereof TYMP, DUT, NT5C3B MEN1 3514/4885DRD4 2575/4885ACHE 2571/4885
US-11725222-B2 Cleavable nucleotide analogs and uses thereof TYMP, DUT, NT5C3B MEN1 3514/4885DRD4 2575/4885ACHE 2571/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.