SCHEMBL49762

SCHEMBL49762

Oc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.65
ESR2 Q92731 5/20 0.65
MMP3 P08254 2/20 0.52
BCL2L1 Q07817 1/20 0.52
ABL1 P00519 1/20 0.50
ABCB1 P08183 1/20 0.50
BCR P11274 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL208526 0.84 ALDH1A1 (0.35) ESR1ESR2ALDH1A1CYP3A4TP53
SCHEMBL17200849 0.84 ALDH1A1 (0.35) ESR1ESR2ALDH1A1CYP3A4TP53
Water SCHEMBL1135090 0.84 ESR1 (0.92) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL28269758 0.83 MMP3 (0.62) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL27465364 0.82 ESR1 (0.44) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL3290 0.81
SCHEMBL30826784 0.80 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL15632 0.80 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
Hydroquinone SCHEMBL5712110 0.80 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL9090705 0.80 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820087-A Preparation method of bisphenol A diglycerol ether compound 中国石油化工股份有限公司 2024-04-05 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
CN-103869623-B Coating composition 默克专利有限公司 2017-07-21 CN claimed
CN-104893539-B Preparation method of hydrophobic and flame-retardant PU (polyurethane) coating 西安科技大学 2017-04-19 CN claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-6358981-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS ELI LILLY AND COMPANY 2002-03-19 US claimed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN claimed
EP-0863919-B1 SUPPORTED CATALYST CONTAINING TETHERED CATION FORMING ACTIVATOR DOW CHEMICAL CO (US) 2000-11-15 EP claimed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
EP-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 EP claimed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
JP-H08505862-A 1996-06-25 JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO claimed
EP-0259346-B1 R-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS MERCK PATENT GmbH (DE) 1990-04-04 EP 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP ESR1 4443/4885ESR2 3639/4885MMP3 81/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ESR1 1182/4885ESR2 543/4885MMP3 1337/4885

“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.