Sugi Predict

Sugi Predict / Compounds / SCHEMBL927770

SCHEMBL927770

SCHEMBL927770

CC1CCC(C(C)(C)c2ccccc2)C(O)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TRPA1 O75762 2/20 0.35
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SLC18A3 Q16572 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
SCHEMBL14026070 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TRPA1TRPM8CHRM3
SCHEMBL8409146 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TRPA1TRPM8CHRM3
SCHEMBL22375179 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TRPA1TRPM8CHRM3
SCHEMBL8870586 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TRPA1TRPM8CHRM3
SCHEMBL927772 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TRPA1TRPM8CHRM3
SCHEMBL12159717 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TRPA1TRPM8CHRM3
SCHEMBL15061116 1.00 CYP2C9 (0.39) CYP2C9CYP2C19TRPA1TRPM8CHRM3
Water SCHEMBL28276387 0.98 CYP2C9 (0.38) CYP2C9CYP2C19TRPA1TRPM8CHRM3
Water SCHEMBL28276386 0.98 CYP2C9 (0.38) CYP2C9CYP2C19TRPA1TRPM8CHRM3
SCHEMBL1097170 0.94 CYP2C19 (0.41) CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736600-A Preparation method of photonic crystal composition 江西省安润新材料有限公司 2022-07-12 — — CN claimed
CN-114507473-A Colorful coating liquid, colorful hardened film applying same and preparation method 江西省安润新材料有限公司 2022-05-17 — — CN claimed
CN-109329053-A A kind of Jasmine rapid propagation method 饶凡 2019-02-15 — — CN claimed
CN-109329018-A A kind of cultural method of rose 饶凡 2019-02-15 — — CN claimed
CN-109329051-A Jasmine quickly breeds the preparation method with culture medium 饶凡 2019-02-15 — — CN claimed
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 — — US claimed
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2011-10-06 — — US claimed
US-20100210846-A1 Process for preparing 2-(2-pyridylmethyl)-sulfinyl-1H-benzimidazoles and the intermediate compounds used therein CHEMO IBERICA S.A. (ES) 2010-08-19 — — US claimed
EP-2164832-A1 PROCESS FOR PREPARING 2-(2-PYRIDYLMETHYL)-SULFINYL-1H-BENZIMIDAZOLES AND THE INTERMEDIATE COMPOUNDS USED THEREIN Química Sintética, S.A. (ES) 2010-03-24 — — EP claimed
CN-101679301-A Process for the preparation of 2- (2-pyridylmethyl) sulfinyl-1H-benzimidazoles and intermediate compounds for use therein SINT QUIMICA SA 2010-03-24 — — CN claimed
WO-2005040145-A1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-06 — — WO claimed
CN-1548439-A Process for preparing racemized and photoactive calanolide A and its analogue 中国医学科学院药物研究所 2004-11-24 — — CN claimed
CN-1160331-C Process for preparing photoactivated (-) yellow skin amide 中国医学科学院药物研究所 2004-08-04 — — CN claimed
US-6441173-B1 NOVEL INTERMEDIATES OF AND CONVERSION TO 3-(2-(2-HYDROXYETH-1-YLOXY) OR (2-CARBOXYMETHOXY)-4-METHOXYPHENYL)-1-(3,4-METHYLENE DIOXYPHENYL)-5-(PROP-1-YLOXY)INDANE-2-CARBOXYLIC ACID SMITHKLINE BEECHAM CORPORATION 2002-08-27 — — US claimed
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 — — US claimed
WO-1997041109-A1 SYNTHESIS OF (±) - CALICHEAMICINONE, PRECURSORS, INTERMEDIATES AND DERIVATIVES UNIVERSITY OF ALBERTA (CA) 1997-11-06 — — WO claimed
US-5650535-A FORMING NORBORNENE BY CHEMICAL CONDENSATION OF UNSATURATED ESTER WITH CYCLOPENTADIENE IN TRIETHYLAMINE G. D. SEARLE & CO. (US) 1997-07-22 — — US claimed
WO-1996000729-A2 PROCESS FOR THE PREPARATION OF AZANORADAMANTANE BENZAMIDES G.D. SEARLE & CO. (US) 1996-01-11 — — WO claimed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 — — US claimed
US-5137887-A Xanthine oxidase inhibitors, antipodagric agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1992-08-11 — — US 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-20100210846-A1 Process for preparing 2-(2-pyridylmethyl)-sulfinyl-1H-benzimidazoles and the intermediate compounds used therein SI, SQOR, TPMT CYP2C9 51/4885CYP2C19 20/4885TRPA1 2821/4885
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES PDE1B, PDE3B, PDE1A CYP2C9 392/4885CYP2C19 322/4885TRPA1 4171/4885

“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.