SCHEMBL9908276

SCHEMBL9908276

CCc1ccc(OC)nc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CRHR1 P34998 1/20 0.41
PDE10A Q9Y233 4/20 0.41
BRD9 Q9H8M2 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
TXNRD1 Q16881 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NNMT P40261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ERN1 O75460 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13634443 0.82 TSHR (0.38) POLBTDP1HPGDTSHRMAPT
SCHEMBL31275212 0.82 GABRA1 (0.35) POLBTDP1PDCD1LG2CD274
SCHEMBL18291529 0.82 POLB (0.46) POLBTDP1CRHR1PDE10ABRD9
SCHEMBL6408365 0.82 POLB (0.50) POLBTDP1CRHR1BRD9BRD7
SCHEMBL5010614 0.82 CD274 (0.51) POLBTDP1CRHR1PDE10ABRD9
SCHEMBL1848182 0.82 POLB (0.46) POLBTDP1CRHR1PDE10ABRD9
SCHEMBL16111693 0.81 POLB (0.46) POLBTDP1BRD9BRD7RAB9A
SCHEMBL20467136 0.80 PDE10A (0.44) POLBTDP1PDE10ATXNRD1MEN1
SCHEMBL9016286 0.79 NNMT (0.50) POLBTDP1PDE10ATXNRD1NNMT
SCHEMBL16093359 0.79 APOBEC3A (0.53) RAB9ANPC1TSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-06-25 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-10308975-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates PROMEGA CORPORATION (US) 2019-06-04 US disclosed
US-20180223330-A1 COELENTERAZINE ANALOGUES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-08-09 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-08 US disclosed
US-9611274-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-04 US disclosed
EP-2900644-B1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLIN-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2016-09-21 EP disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 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 (12 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 POLB 4390/4885TDP1 4779/4885CRHR1 42/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF POLB 4172/4885TDP1 1784/4885CRHR1 2441/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 1445/4885TDP1 4130/4885CRHR1 4256/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 1617/4885TDP1 4312/4885CRHR1 4223/4885
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer HSD17B7, CYP17A1, HSD17B11 POLB 3355/4885TDP1 2377/4885CRHR1 647/4885
US-20180223330-A1 COELENTERAZINE ANALOGUES GLB1, SI, TCF7L2 POLB 3070/4885TDP1 3852/4885CRHR1 2778/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 1445/4885TDP1 4130/4885CRHR1 4256/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 POLB 4515/4885TDP1 3426/4885CRHR1 149/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 POLB 4512/4885TDP1 2856/4885CRHR1 1429/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 POLB 3217/4885TDP1 1560/4885CRHR1 3543/4885
US-10308975-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates AADAC, PGLS, GLB1 POLB 3845/4885TDP1 3491/4885CRHR1 4072/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR POLB 4352/4885TDP1 4211/4885CRHR1 3751/4885

“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.