SCHEMBL7440746

SCHEMBL7440746

Brc1ccccc1C1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
KDM1A O60341 3/20 0.47
TSHR P16473 1/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
RCOR1 Q9UKL0 1/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30036946 1.00 HTR2C (0.47) HTR2CHTR2BKDM1ATSHRSLC6A2
SCHEMBL10300817 1.00 HTR2C (0.47) HTR2CHTR2BKDM1ATSHRSLC6A2
SCHEMBL5853841 0.86 HTR2C (0.41) HTR2CHTR2BKDM1ATSHRSLC6A2
SCHEMBL2177894 0.84 HTR2C (0.40) HTR2CHTR2BKDM1ATSHRSLC6A2
SCHEMBL4750478 0.82 HTR2C (0.42) HTR2CHTR2BKDM1ATSHRSLC6A2
SCHEMBL18298262 0.82 TSHR (0.38) HTR2CHTR2BKDM1ATSHRSLC6A2
SCHEMBL37732 0.82 TSHR (0.57) TSHRHTR2A
SCHEMBL11455610 0.79 HTR2C (0.36) HTR2CHTR2BKDM1ATSHRSLC6A2
SCHEMBL31545950 0.78 HTR2C (0.36) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL15741269 0.76 HTR2C (0.40) HTR2CHTR2BKDM1ASLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409550-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-12-12 US disclosed
EP-4464317-A2 COMPOUNDS AND COMPOSITIONS AND USES THEREOF Sumitomo Pharma America, Inc. (US) 2024-11-20 EP disclosed
EP-3494119-B1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUMITOMO PHARMA AMERICA INC (US) 2024-09-04 EP disclosed
US-11958862-B2 Compounds and compositions and uses thereof SUMITOMO PHARMA AMERICA, INC. (US) 2024-04-16 US disclosed
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME LLC (US) 2023-08-17 US disclosed
EP-4182299-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 Merck Sharp & Dohme LLC (US) 2023-05-24 EP disclosed
CN-115246761-A Preparation method of polysubstituted naphthalene derivative 清华大学 2022-10-28 CN disclosed
US-20220340588-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-27 US disclosed
WO-2022013408-A2 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 MERCK SHARP & DOHME CORP. (US) 2022-01-20 WO disclosed
WO-2022007841-A1 EGFR INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-01-13 WO disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
WO-2015158206-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF 上海迪诺医药科技有限公司 2015-10-22 WO disclosed
CN-1318365-C Aryl dihydroxy alcohol preparation method CHINA PETROLEUM & CHEMICAL (CN) 2007-05-30 CN disclosed
CN-1765863-A Aryl dihydroxy alcohol preparation method CHINA PETROLEUM & CHEMICAL (CN) 2006-05-03 CN disclosed
CN-1369565-A Process for preparing chiral substituted arylepoxyethane compounds and its biol by selective splitting of Aspergillus niger SHANGHAI INST ORGANIC CHEM (CN) 2002-09-18 CN disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
WO-1994009006-A1 3A,6-BRIDGED HEXAHYDROISOINDOLES AND RELATED HYDROISOQUINOLINES AND HYDROBENZAZEPINES AND THEIR USE AS RADIOIMAGING AND PHARMACEUTICAL AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-28 WO 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 (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-20240409550-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF CHAT, ACHE, MAOB HTR2C 190/4885HTR2B 186/4885KDM1A 4276/4885
US-11958862-B2 Compounds and compositions and uses thereof CHAT, ACHE, MAOB HTR2C 190/4885HTR2B 186/4885KDM1A 4276/4885
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 HTR2C 1269/4885HTR2B 577/4885KDM1A 1196/4885
US-20220340588-A1 COMPOUNDS AND COMPOSITIONS AND USES THEREOF CHAT, ACHE, MAOB HTR2C 190/4885HTR2B 186/4885KDM1A 4276/4885
US-20230257371-A1 CYCLIC CYANOENONE DERIVATIVES AS MODULATORS OF KEAP1 KEAP1, NFE2L2, NQO1 HTR2C 3985/4885HTR2B 4077/4885KDM1A 1970/4885

“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.