SCHEMBL686122

SCHEMBL686122

C=C(C)c1ccc(C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
CSNK2A1 P68400 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL7953589 0.82 TRPA1 (0.52) TRPA1NPC1RAB9ATP53TDP1
SCHEMBL14826759 0.82 CSNK2A1 (0.57) TRPA1NPC1RAB9ATP53TDP1
SCHEMBL30636719 0.82 CSNK2A1 (0.57) TRPA1NPC1RAB9ATP53TDP1
SCHEMBL29749725 0.81 CSNK2A1 (0.40) TRPA1TP53TDP1LMNACSNK2A1
SCHEMBL1820394 0.81 CSNK2A1 (0.40) TRPA1TP53TDP1LMNACSNK2A1
SCHEMBL70009 0.79 CES2 (0.54) NPC1TP53ALDH1A1MAPTHPGD
SCHEMBL29444190 0.79 TDP1 (0.46) TRPA1TP53TDP1LMNAALDH1A1
SCHEMBL674175 0.79 TDP1 (0.46) TRPA1TP53TDP1LMNAALDH1A1
SCHEMBL760290 0.77 ALDH1A1 (0.57) TRPA1NPC1RAB9ALMNACSNK2A1
SCHEMBL22078964 0.77 TRPA1 (0.52) TRPA1NPC1RAB9ATP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 US disclosed
CN-111499497-B Preparation method of thymol 漳州水仙药业股份有限公司 2022-11-01 CN disclosed
WO-2022144436-A1 PROCESS FOR THE ASYMMETRIC SYNTHESIS OF ISOPIPERITENOL STUDIENGESELLSCHAFT KOHLE MBH (DE) 2022-07-07 WO disclosed
EP-4023626-A1 PROCESS FOR THE ASYMMETRIC SYNTHESIS OF ISOPIPERITENOL Studiengesellschaft Kohle mbH (DE) 2022-07-06 EP disclosed
CN-112811988-A Continuous purification method of thymol 安徽海华科技集团有限公司 2021-05-18 CN disclosed
CN-108911951-B Thymol and preparation method and pharmaceutical composition thereof 漳州水仙药业股份有限公司 2021-05-14 CN disclosed
CN-108911951-B Thymol and preparation method and pharmaceutical composition thereof 漳州水仙药业股份有限公司 2021-05-14 CN disclosed
WO-2021011700-A1 SILANE FUNCTIONAL STABILIZERS FOR EXTENDING LONG-TERM ELECTRICAL POWER CABLE PERFORMANCE NOVINIUM, INC. (US) 2021-01-21 WO disclosed
CN-111499497-A Preparation method of thymol 漳州水仙药业股份有限公司 2020-08-07 CN disclosed
US-10717973-B2 Method for the biocatalytic cyclization of terpenes and cyclase mutants employable therein BASF SE (DE) 2020-07-21 US disclosed
US-20100075257-A1 Resin and Chemically Amplified Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-25 US disclosed
EP-0183436-B1 METHODS, COMPOSITIONS AND USES THEREOF FOR REDUCTION OF STRESS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-07-03 EP disclosed
EP-0229394-B1 PROCESS FOR THE PURIFICATION OF AN ESTER OF PARA-METHOXYCINNAMIC ACID L. GIVAUDAN & CIE Société Anonyme (CH) 1990-10-24 EP disclosed
US-4713473-A PURIFICATION BY HEATING, DISTILLATION GIVAUDAN CORPORATION (US) 1987-12-15 US disclosed
EP-0229394-A2 Process for the purification of an ester of para-methoxycinnamic acid L. GIVAUDAN & CIE Société Anonyme (CH) 1987-07-22 EP disclosed
US-4671959-A INHALING NUTMEG OIL AND A CARRIER MIXTURE YALE UNIVERSITY (US) 1987-06-09 US disclosed
US-4670264-A INHALATION MIXTURE OF NUTMEG OIL IN ALCOHOL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-06-02 US disclosed
US-4670463-A MYRISTICIN YALE UNIVERSITY (US) 1987-06-02 US disclosed
EP-0183436-A2 Methods, compositions and uses thereof for reduction of stress INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-06-04 EP disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 US 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 (1 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS TRPA1 4699/4885NPC1 1483/4885RAB9A 139/4885

“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.