SCHEMBL276909

SCHEMBL276909

[O]c1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
FLT3 P36888 1/20 0.54
TYR P14679 1/20 0.52
DAO P14920 1/20 0.52
AKR1B1 P15121 1/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA2 P00918 3/20 0.50
MAOB P27338 5/20 0.48
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
CA1 P00915 3/20 0.48

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
SCHEMBL4632815 0.75 HPGD (0.62) TYRDAOAKR1B1HPGDPOLB
SCHEMBL103158 0.74 MAOB (0.63) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL30036439 0.74 MAOB (0.63) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL29517170 0.71 RAB9A (0.78) TYRDAOAKR1B1HPGDPOLB
SCHEMBL1009796 0.70 MAOB (0.48) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL21179480 0.70 MAOB (0.48) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL2057444 0.70 KDM4E (0.48) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL21494529 0.70 KDM4E (0.48) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL8874655 0.70 KDM4E (0.48) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL686830 0.70 KDM4E (0.54) CYP2A6FLT3TYRDAOAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221624-A Benzofuran spiro bicyclo [2.1.1] hexane derivative and synthesis method thereof 浙江师范大学 2024-06-21 CN claimed
CN-107216242-B Method for synthesizing aromatic aldehyde, aromatic ketone and aromatic ester by oxidizing alkyl aromatic compound under catalysis of iron 南京师范大学 2020-04-03 CN claimed
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2020-03-05 US claimed
US-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-18 US claimed
EP-3317265-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY Northwestern University (US) 2018-05-09 EP claimed
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 US claimed
WO-2017004405-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2017-01-05 WO claimed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US claimed
US-9169201-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2015-10-27 US claimed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP claimed
CN-101610995-A Novel glucagon receptor antagonists METABASIS THERAPEUTICS INC (US) 2009-12-23 CN claimed
EP-2129654-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR Metabasis Therapeutics, Inc. (US) 2009-12-09 EP claimed
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof HARVEY ANDREW J 2008-09-11 US claimed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 WO claimed
WO-2006096911-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF HARVEY ANDREW J (AU) 2006-09-21 WO claimed
US-6576628-B1 Matrix metalloprotease inhibitors; arthritis, corneal ulcers, arteriosclerosis ROCHE DIAGNOSTICS GMBH (DE) 2003-06-10 US claimed
EP-0749419-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1996-12-27 EP claimed
WO-1995024383-A1 OXIME DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-09-14 WO claimed
EP-0178775-B1 FLUORESCENT INDICATOR DYES FOR CALCIUM IONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-11-09 EP claimed
US-4595769-A Carbamate-sulfenyl-carbamoyl fluoride compounds UNION CARBIDE CORPORATION (US) 1986-06-17 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 CYP2A6 2324/4885FLT3 1030/4885TYR 2745/4885
US-20200071292-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 CYP2A6 2797/4885FLT3 1915/4885TYR 119/4885
US-20170001976-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GBA1, GAA, GBA2 CYP2A6 2797/4885FLT3 1915/4885TYR 119/4885
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof KCNAB1, KCNB1, KCNMB1 CYP2A6 3109/4885FLT3 3237/4885TYR 4572/4885
US-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CRY1, CRY2, MCM4 CYP2A6 2614/4885FLT3 3382/4885TYR 2553/4885

“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.