SCHEMBL183073

SCHEMBL183073

COc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
APP P05067 1/20 0.48
MAOB P27338 2/20 0.47
ABL1 P00519 1/20 0.47
ABCB1 P08183 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
SCHEMBL29022643 1.00 ESR2 (0.56) ESR2CA1CA2CA7CA9
SCHEMBL28090962 0.91 ESR2 (0.48) ESR2CA1CA2CA7CA9
SCHEMBL28429576 0.88 ESR2 (0.45) ESR2CA1CA2CA7CA9
Water SCHEMBL27525432 0.84
SCHEMBL2370 0.84
SCHEMBL6733562 0.84 CA1 (0.79) ESR2CA1CA2CA7CA9
SCHEMBL197522 0.84 CA1 (0.79) ESR2CA1CA2CA7CA9
SCHEMBL9151672 0.84 CA1 (0.79) ESR2CA1CA2CA7CA9
SCHEMBL21314698 0.81
SCHEMBL21831895 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117623838-A Chiral sulfoxide ester compound and preparation method thereof 贵州大学 2024-03-01 CN claimed
CN-117304175-A Preparation method of chiral 3-benzofuran-3-amino-2-oxindole derivative 浙江理工大学 2023-12-29 CN claimed
CN-115926175-A Halogen-free polyphosphate flame retardant with high polymerization degree and preparation method thereof 缔久高科技材料(南通)有限公司 2023-04-07 CN claimed
CN-115385956-A Biaryl diphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN claimed
CN-114805012-A Synthesis method of allylic trifluoromethyl compound 陇东学院 2022-07-29 CN claimed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
CN-113271924-A Aqueous composition, in particular for the treatment of mucous membranes and/or wounds B.布劳恩梅尔松根股份公司 2021-08-17 CN claimed
EP-2320954-B1 DIAGNOSTIC AGENTS SELECTIVE AGAINST METALLOPROTEASES BRACCO IMAGING SPA (IT) 2019-09-04 EP claimed
CN-105272888-B Double aryl alkene alkane acid compounds and its production and use 中国科学院上海药物研究所 2018-03-27 CN claimed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO claimed
US-20020132134-A1 Electroluminescent (EL) devices XEROX CORPORATION 2002-09-19 US claimed
US-20020115864-A1 Potentiators of glutamate receptor function ARNOLD MACKLIN BRIAN (US) 2002-08-22 US claimed
EP-1212300-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
US-6358981-B1 FOR THERAPY OF CENTRAL NERVOUS SYSTEM (CNS) DISORDERS ELI LILLY AND COMPANY 2002-03-19 US claimed
EP-1178959-A1 ALPHA-AMINO-BETA-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2002-02-13 EP claimed
WO-2001019795-A1 AZACYCLOALKANONE SERINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2000071514-A1 α-AMINO-β-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2000-11-30 WO claimed
CN-1259948-A 6,7-disubstituted-4-aminopyrido [2,3-D] pyrimidine compounds ABBOTT LAB (US) 2000-07-12 CN 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

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-20020115864-A1 Potentiators of glutamate receptor function GRM2, GRIN1, GRM1 ESR2 598/4885CA1 1016/4885CA2 734/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA ESR2 694/4885CA1 1833/4885CA2 3135/4885

“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.