Sugi Predict

Sugi Predict / Compounds / SCHEMBL482545

SCHEMBL482545

SCHEMBL482545

C[C@@H](O)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TSHR P16473 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL30494040 1.00 HTT (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL14376099 1.00 HTT (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL29609183 1.00 HTT (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL1328402 1.00 HTT (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL286556 1.00 HTT (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL5117680 0.81 IDO1 (0.43) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL11604556 0.81 IDO1 (0.43) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL5117761 0.81 IDO1 (0.43) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL3372946 0.81 IDO1 (0.43) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL3375814 0.81 IDO1 (0.43) HTTALDH1A1CYP2C19CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868344-A OPTICALLY PURE HALOALCOHOLS ALDRICH-BORANES, INC. (US) 1989-09-19 — — US claimed
JP-1096144-A — — None — — JP disclosed
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-10 — — US disclosed
US-10058534-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders NOVARTIS AG (CH) 2018-08-28 — — US disclosed
US-20180169063-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2018-06-21 — — US disclosed
US-9987381-B2 Radioligands for imaging the LPA-1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 — — US disclosed
US-9981969-B2 Imidazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-29 — — US disclosed
US-9981969-B2 Imidazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug MERCK SHARP & DOHME CORP. (US) 2018-05-29 — — US disclosed
US-9931317-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders NOVARTIS AG (CH) 2018-04-03 — — US disclosed
EP-2958907-B1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
EP-0311329-B1 Liquid crystal compositions comprising optically active 1-[2-halogen-substituted-phenyl]-ethanols and derivatives thereof CHISSO CORP (JP) 1994-05-04 — — EP disclosed
EP-0198440-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HALO-1-PHENYL ETHANOL KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-08-26 — — EP disclosed
US-5068432-A Amination and etherification of a halo alcohol and resolution of a racemic mixture ALDRICH CHEMICAL COMPANY, INC. (US) 1991-11-26 — — US disclosed
US-4918242-A Novel optically 1,3-phenoxypropylhalides ALDRICH CHEMICAL COMPANY, INC. (US) 1990-04-17 — — US disclosed
US-4916074-A ENZYMATIC TRANS ESTERIFICATION OF ALCOHOL WITH TRIGLYCERIDES; PSEUDOMONAS-DERIVED ENZYME CHISSO CORPORATION (JP) 1990-04-10 — — US disclosed
US-4904409-A LIQUID CRYSTAL HAS HIGH TWISTABILITY CHISSO CORPORATION (JP) 1990-02-27 — — US disclosed
US-4857468-A BIOSYNTHESIS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-15 — — US disclosed
JP-H0196144-A OPTICALLY ACTIVE-1-(2-HALOGEN-SUBSTITUTED PHENYL)ETHANOL CHISSO CORP 1989-04-14 — — JP disclosed
EP-0311329-A2 Liquid crystal compositions comprising optically active 1-[2-halogen-substituted-phenyl]-ethanols and derivatives thereof Chisso Corporation (JP) 1989-04-12 — — EP disclosed
EP-0266217-A2 Process for producing optically active compounds CHISSO CORPORATION (JP) 1988-05-04 — — EP 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 (3 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-10058534-B2 Benzothiophene derivatives and compositions thereof as selective estrogen receptor degraders ESR1, CYP19A1, GPER1 HTT 1754/4885ALDH1A1 1187/4885CYP2C19 62/4885
US-20180169063-A1 BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS ESR1, CYP19A1, GPER1 HTT 1754/4885ALDH1A1 1187/4885CYP2C19 62/4885
US-20230250093-A1 AMIDO CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 HTT 4372/4885ALDH1A1 1600/4885CYP2C19 3916/4885

“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.