SCHEMBL941548

SCHEMBL941548

Cc1cc(N=C=O)c(C)cc1Cc1cc(C)c(N=C=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 3/20 0.42
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL15435 0.88 CYP3A4 (0.48) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL29381038 0.88 CYP3A4 (0.48) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL11420650 0.87 CYP3A4 (0.43) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL1044718 0.85 CYP3A4 (0.61) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL12805524 0.84 CYP3A4 (0.56) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL375132 0.81 CYP3A4 (0.57) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL1191608 0.81 CYP3A4 (0.57) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL1774055 0.80 CYP3A4 (0.51) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL20272490 0.80 CYP3A4 (0.42) CYP3A4TRPA1ALDH1A1GABRA1GABRB2
SCHEMBL1045246 0.78 CYP3A4 (0.59) CYP3A4TRPA1ALDH1A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113518615-B Cosmetic and cosmetic method for heating 株式会社资生堂 2024-05-14 CN disclosed
CN-116782866-A Sheet-like cosmetic 株式会社资生堂 2023-09-19 CN disclosed
CN-111263628-B Vesicle-containing composition 株式会社资生堂 2023-09-08 CN disclosed
CN-111989085-B Viscous aqueous cosmetic 株式会社资生堂 2023-04-18 CN disclosed
CN-115703983-A Cleaning agent 株式会社资生堂 2023-02-17 CN disclosed
US-20220175632-A1 OIL-IN-WATER EMULSION COSMETIC SHISEIDO COMPANY, LTD. (JP) 2022-06-09 US disclosed
CN-110997851-B Allyl-functionalized urethane oligomers and related compositions for coatings and adhesives 阿科玛法国公司 2022-06-07 CN disclosed
CN-109890353-B Cosmetic composition 株式会社资生堂 2022-05-31 CN disclosed
US-20220160615-A1 COSMETIC, COSMETIC FOR USE IN WARMED STATE, AND BEAUTY METHOD SHISEIDO COMPANY, LTD. (JP) 2022-05-26 US disclosed
US-11261288-B2 Allyl functional urethane oligomers and related compositions for coatings and adhesives ARKEMA FRANCE (FR) 2022-03-01 US disclosed
EP-0003102-A2 Process for the preparation of polyisocyanates containing sulphonic acid alkylester groups and their use as a starting material for the preparation of polyaddition products BAYER AG (DE) 1979-07-25 EP disclosed
EP-0003097-A1 Process for the preparation of modified polyisocyanates containing sulphonic acid alkylester groups and their use for the preparation of polyaddition products BAYER AG (DE) 1979-07-25 EP disclosed
US-4147653-A Storable mixtures containing aromatic isocyanatosulphonic acids BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4143062-A STABILIZED PREPARATIONS OF AROMATIC ISOCYANATO SULPHONIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
EP-0000722-A1 Process for the preparation of polyurethanes containing arylsulfonic acid alkyl ester groups BAYER AG (DE) 1979-02-21 EP disclosed
EP-0000021-A1 Process for the preparation of sulfonic acid groups and phosphonate groups bearing polyisocyanate mixtures BAYER AG (DE) 1978-12-20 EP disclosed
US-4119658-A REACTING ISOCYANATES WITH SULFUR TRIOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-10 US disclosed
US-4086211-A Method of producing polyurethane products having an improved flex crack resistance BRIDGESTONE TIRE COMPANY LIMITED (JA) 1978-04-25 US disclosed
US-4085165-A ISOCYANATE PREPOLYMER, VINYL COMPOUND, POLYAMINE OR POLYETHER CURING AGENT BRIDGESTONE TIRE CO., LTD. (JA) 1978-04-18 US disclosed
US-4062825-A SILICA BRIDGESTONE TIRE COMPANY, LTD. (JA) 1977-12-13 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 (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-20220175632-A1 OIL-IN-WATER EMULSION COSMETIC CUTA, CENPE, SMURF1 CYP3A4 4639/4885TRPA1 1211/4885ALDH1A1 3889/4885
US-20220160615-A1 COSMETIC, COSMETIC FOR USE IN WARMED STATE, AND BEAUTY METHOD LRBA, CUTA, GLMN CYP3A4 4358/4885TRPA1 173/4885ALDH1A1 3077/4885

“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.