SCHEMBL9620

SCHEMBL9620

COc1cc(OC)cc(C(C)(C)O[C]=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP1A1 P04798 4/20 0.35
CYP1B1 Q16678 4/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2E1 P05181 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C8 P10632 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP4B1 P13584 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP3A5 P20815 2/20 0.32
CYP2A7 P20853 2/20 0.32

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
SCHEMBL10626779 0.79 NQO1 (0.35) CA1CA2AKR1C3AKR1C2KDM4E
SCHEMBL1456018 0.77 GABRA1 (0.41) GAAKDM4EPOLBRXRA
SCHEMBL31511037 0.76 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL29615355 0.76 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL7997008 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL63058 0.72 ALDH1A1 (0.44) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL19253302 0.72 ALDH1A1 (0.35) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL8768367 0.72 CASP1 (0.43) ALDH1A1CA1CA2CYP1A2CYP3A4
SCHEMBL1376849 0.72 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL278798 0.71 ALDH1A1 (0.61) ALDH1A1CYP1A1CYP1B1CA1CA2

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

Appears in 3920 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199681-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS EVONETIX LTD (GB) 2024-06-20 US claimed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
CN-117500817-A Peptides comprising phosphorylcholine conjugates and methods of synthesizing the same 塔西亚制药公司 2024-02-02 CN claimed
US-20230159450-A1 DIMERS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2023-05-25 US claimed
US-20230111252-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-04-13 US claimed
EP-4146629-A1 DIMERS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS The Feinstein Institutes for Medical Research (US) 2023-03-15 EP claimed
US-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ESCO ASTER PTE. LTD (SG) 2023-03-02 US claimed
EP-4140988-A1 L-VALINATE OF HYDROXYPROPYLTHIAZOLIDINE CARBOXAMIDE DERIVATIVE AND SALT FORM, CRYSTAL POLYMORPH THEREOF Merck Serono S.A. (CH) 2023-03-01 EP claimed
WO-2021226431-A1 DIMERS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2021-11-11 WO claimed
US-11161869-B2 Thermally-cleavable protecting and linker groups EVONETIX LTD. (GB) 2021-11-02 US claimed
US-4855486-A Blocked, marked amino acids KALBAG SURESH M (US) 1989-08-08 US claimed
US-4755558-A Using internal marker BECKMAN INSTRUMENTS, INC. (US) 1988-07-05 US claimed
EP-0175290-A2 Glycopeptides, method for their preparation and their use BEHRINGWERKE Aktiengesellschaft (DE) 1986-03-26 EP claimed
US-4290943-A Method of preparing polypeptides MAX-PLANK-GESELLSCHAFT (DE) 1981-09-22 US claimed
EP-0000745-B1 SALT OF AN OPTICALLY ACTIVE ISOMER OF PHENYLGLYCINE AND AN OPTICALLY ACTIVE ISOMER OF 2-AMINO BUTANOL AND PROCESS FOR ITS PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-15 EP claimed
US-4215037-A Partially protected human insulin-A-chain and process for its manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-29 US claimed
EP-0002680-A2 4-Spectinomycylamin and its physiologically acceptable salts, method of preparation and pharmaceutical products containing these substances Dr. Karl Thomae GmbH (DE) 1979-07-11 EP claimed
EP-0000745-A1 Salt of an optically active isomer of phenylglycine and an optically active isomer of 2-amino butanol and process for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-21 EP claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed