SCHEMBL679143

SCHEMBL679143

Cc1cccc(O)c1C(C)(C)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
ATM Q13315 2/20 0.48
SHBG P04278 1/20 0.42
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
MAPT P10636 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL29597345 1.00 TRPA1 (0.48) TRPA1ATMSHBGGABRA1GABRB2
SCHEMBL9250565 0.86 TRPA1 (0.37) TRPA1ATMSHBGGABRA1GABRB2
SCHEMBL31151182 0.82 SHBG (0.44) TRPA1ATMSHBGALDH1A1GAA
SCHEMBL17758745 0.82 TRPA1 (0.50) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL7597677 0.81 SHBG (0.42) TRPA1ATMSHBGGABRA1GABRB2
SCHEMBL2750150 0.79 TRPA1 (0.47) TRPA1ATMGABRA1GABRB2ALDH1A1
SCHEMBL6558955 0.79 SHBG (0.41) TRPA1ATMSHBGALDH1A1KMT2A
SCHEMBL6469365 0.79 ALDH1A1 (0.50) TRPA1ATMSHBGGABRA1GABRB2
SCHEMBL6935470 0.79 SHBG (0.52) SHBGALDH1A1GAAKMT2AMEN1
SCHEMBL4452500 0.78 SHBG (0.40) TRPA1ATMSHBGALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129206-A1 POLYESTER-BASED PLASTICIZER, VINYL CHLORIDE-BASED RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE THEREOF ADEKA CORPORATION (JP) 2025-04-24 US disclosed
EP-4397690-A1 POLYESTER-BASED PLASTICIZER, VINYL CHLORIDE-BASED RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE THEREOF ADEKA CORPORATION (JP) 2024-07-10 EP disclosed
CN-117897428-A Polyester plasticizer, vinyl chloride resin composition containing same, and molded article thereof 株式会社ADEKA 2024-04-16 CN disclosed
US-11840617-B2 Stabilizer composition, vinyl chloride resin composition containing same, and article molded therefrom ADEKA CORPORATION (JP) 2023-12-12 US disclosed
EP-2599830-B2 VINYL-CHLORIDE-BASED RESIN COMPOSITION FOR TRANSPARENT PRODUCT ADEKA CORP (JP) 2022-09-28 EP disclosed
US-20220017721-A1 STABILIZING AGENT COMPOSITION, VINYL CHLORIDE RESIN COMPOSITION CONTAINING SAME AND MOLDED BODY THEREOF ADEKA CORPORATION (JP) 2022-01-20 US disclosed
EP-3922699-A1 STABILIZING AGENT COMPOSITION, VINYL CHLORIDE RESIN COMPOSITION CONTAINING SAME AND MOLDED BODY THEREOF ADEKA CORPORATION (JP) 2021-12-15 EP disclosed
CN-109054378-B Enhancing antimicrobial activity of biocides with polymers 巴斯夫欧洲公司 2021-10-01 CN disclosed
CN-113227322-A Stabilizer composition, vinyl chloride resin composition containing same, and molded article thereof 株式会社ADEKA 2021-08-06 CN disclosed
EP-2676997-B2 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORP (JP) 2021-03-17 EP disclosed
US-4282141-A DISCOLORATION INHIBITION FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-08-04 US disclosed
EP-0028268-A1 Stabilizer composition comprising a thio-1,3-dicarbonyl compound and a heat stabilizer, and vinyl halide polymer composition stabilized therewith S.A. Diamond Shamrock Benelux N.V. (BE) 1981-05-13 EP disclosed
US-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 US disclosed
US-4244848-A HEAT RESISTANT STABILIZERS COMPRISING AT LEAST ONE ZINC, DIALKYLTIN, ALKALI METAL OR ALKALINE EARTH METAL ORGANIC PHOSPHATE ESTER SALT AND AT LEAST ONE B-DIKETONE ARGUS CHEMICAL CORPORATION (US) 1981-01-13 US disclosed
US-4224218-A Stabilized vinyl chloride polymer comprising a metal mono-organic phosphite ARGUS CHEMICAL CORPORATION (US) 1980-09-23 US disclosed
US-4224203-A Vinyl chloride polymer stabilizer comprising a metal organophosphonate ARGUS CHEMICAL CORPORATION (US) 1980-09-23 US disclosed
US-4221687-A BASIC INORGANIC SALT, 1,3-DIKETONE, VINYL CHLORIDE POLYMER ARGUS CHEMICAL CORP. (US) 1980-09-09 US disclosed
US-4217258-A THIOCARBONYL COMPOUND, ALKYLTIN COMPOUND, METAL CARBOXYLATE, HYDROCARBYLPHENOL ARGUS CHEMICAL CORP. (US) 1980-08-12 US disclosed
US-4134868-A Aromatic carboxylic acid ester stabilizers for PVC resins ARGUS CHEMICAL CORPORATION (US) 1979-01-16 US disclosed
US-4105627-A MERCAPTOHETEROCYCLIC RESIN STABILIZERS ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed