SCHEMBL395820

SCHEMBL395820

C1=COOc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9209 0.77 MAOA (0.41) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL1420110 0.77 MAOA (0.41) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL29434883 0.77 MAOA (0.41) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL7197365 0.77 MAOA (0.41) MAOAMAOBOXTRABCG2ITGB2
Water SCHEMBL1552056 0.76 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL9249037 0.76 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
Water SCHEMBL693215 0.76 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL887939 0.76 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL151338 0.76 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL4860431 0.76 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021132627-A1 METHOD FOR CULTURING HEMATOPOIETIC STEM CELLS 大日本住友製薬株式会社 2021-07-01 WO claimed
EP-3206660-B1 MALODOR REDUCING COMPOSITIONS GIVAUDAN SA (CH) 2021-03-31 EP claimed
US-20170290757-A1 MALODOR REDUCING COMPOSITIONS GIVAUDAN S.A. (CH) 2017-10-12 US claimed
EP-3206660-A1 MALODOR REDUCING COMPOSITIONS Givaudan S.A. (CH) 2017-08-23 EP claimed
WO-2016058710-A1 MALODOR REDUCING COMPOSITIONS GIVAUDAN SA (CH) 2016-04-21 WO claimed
CN-105473641-A Method for preparing dioxyheterocycle-based electrochromic polymers UNIV FLORIDA 2016-04-06 CN claimed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP claimed
US-9180192-B2 mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-11-10 US claimed
CN-104245696-A Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme KAINOS MEDICINE INC 2014-12-24 CN claimed
US-8779144-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2014-07-15 US claimed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP claimed
US-20050203069-A1 Nitric oxide-releasing molecules NOXILIZER, INC. 2005-09-15 US claimed
WO-2005081752-A2 NITRIC OXIDE-RELEASING POLYMERS AMULET PHARMACEUTICALS, INC. (US) 2005-09-09 WO claimed
WO-2005081753-A2 NITRIC OXIDE-RELEASING MOLECULES NOXILIZER, INC. (US) 2005-09-09 WO claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP claimed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US claimed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP claimed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO claimed
US-5225427-A 10-substituted ether derivatives of dihydroartemisinin, process for their preparation and their use as antiprotozoal agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 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 (2 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-20050203069-A1 Nitric oxide-releasing molecules NOS2, NOS1, NOS3 MAOA 634/4885MAOB 592/4885OXTR 1071/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 MAOA 3289/4885MAOB 2381/4885OXTR 3699/4885

“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.