Sugi Predict

Sugi Predict / Compounds / SCHEMBL7523892

SCHEMBL7523892

SCHEMBL7523892

CC(C)C[C@H](O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.52
▸ TAAR1 Q96RJ0 4/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.50
▸ MAOA P21397 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ SLC18A2 Q05940 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ANPEP P15144 1/20 0.46
▸ RNPEP Q9H4A4 1/20 0.46
▸ DNPEP Q9ULA0 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MME P08473 1/20 0.45
▸ ALPL P05186 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL7527686 1.00 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL105502 1.00 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
Fluoride SCHEMBL28017588 0.98 TRPA1 (0.50) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3091848 0.86 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3091836 0.86 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL19739052 0.83 TRPA1 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL21703616 0.83 TRPA1 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL29066468 0.82 TRPA1 (0.44) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL110013 0.82 TRPA1 (0.56) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1833635 0.81 TRPA1 (0.55) TRPA1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002094753-A1 OPTICALLY ACTIVE BENZYLALKYLCARBINOLS, THEIR PREPARATION AN D USE IN PERFUMERY RHODIA CHIREX, INC. (US) 2002-11-28 — — WO claimed
US-20020177738-A1 Novel optically active benzylalkylcarbinols, their preparation and use RHODIA CHIREX INC. 2002-11-28 — — US claimed
US-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components RHODIA CHIREX, INC. 2002-08-29 — — US claimed
WO-2002057227-A2 PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS RHODIA/CHIREX, INC. (US) 2002-07-25 — — WO claimed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 — — US disclosed
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors KSQ Therapeutics, Inc. (US) 2023-10-17 — — US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 — — US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 — — US disclosed
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-06-29 — — US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US disclosed
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2021-04-22 — — US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 — — US disclosed
US-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 — — US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 — — US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 — — US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 — — US disclosed
WO-2002094753-A1 OPTICALLY ACTIVE BENZYLALKYLCARBINOLS, THEIR PREPARATION AN D USE IN PERFUMERY RHODIA CHIREX, INC. (US) 2002-11-28 — — WO disclosed
US-20020177738-A1 Novel optically active benzylalkylcarbinols, their preparation and use RHODIA CHIREX INC. 2002-11-28 — — US disclosed
US-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components RHODIA CHIREX, INC. 2002-08-29 — — US disclosed
WO-2002057227-A2 PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS RHODIA/CHIREX, INC. (US) 2002-07-25 — — 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 (11 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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 TRPA1 2563/4885TAAR1 3266/4885SLC6A2 2009/4885
US-11787813-B2 Substituted pyrazolopyrimidines and substituted purines and their use as ubiquitin-specific-processing protease 1 (USP1) inhibitors USP1, UPP1, USP2 TRPA1 4618/4885TAAR1 3135/4885SLC6A2 3988/4885
US-20020119909-A1 Preparation of enantiomerically enriched flavor and fragrance components NISCH, FASTKD5, NOTUM TRPA1 6/4885TAAR1 721/4885SLC6A2 4859/4885
US-20210115049-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 TRPA1 4618/4885TAAR1 3135/4885SLC6A2 3988/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 TRPA1 4330/4885TAAR1 4061/4885SLC6A2 2148/4885
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 TRPA1 4750/4885TAAR1 2828/4885SLC6A2 4447/4885
US-20230203046-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, UPP1, USP2 TRPA1 4618/4885TAAR1 3135/4885SLC6A2 3988/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 TRPA1 4408/4885TAAR1 4421/4885SLC6A2 2397/4885
US-20020177738-A1 Novel optically active benzylalkylcarbinols, their preparation and use CNR2, CNR1, PLD2 TRPA1 827/4885TAAR1 2577/4885SLC6A2 3340/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 TRPA1 4384/4885TAAR1 4268/4885SLC6A2 2638/4885
US-20170253601-A1 Substituted Pyrrolidine Compounds SMYD2, SMYD3, SNRPD2 TRPA1 4530/4885TAAR1 4226/4885SLC6A2 2219/4885

“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.