SCHEMBL112222

SCHEMBL112222

Cc1cccc(C)c1C.N=C=O.N=C=O.N=C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 2/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP3A4 P08684 2/20 0.41
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 3/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL57485 1.00 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2TSHR
SCHEMBL29773079 1.00 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2TSHR
Benzene SCHEMBL28983347 0.97 TRPA1 (0.44) TRPA1ATMKEAP1NFE2L2TSHR
Carbimide SCHEMBL28669493 0.88 TRPA1 (0.50) TRPA1ATMKEAP1NFE2L2TSHR
SCHEMBL4936865 0.84 CYP3A4 (0.54) TRPA1ATMKEAP1NFE2L2TSHR
SCHEMBL2009347 0.84 TRPA1 (0.74) TRPA1ATMTSHRSMN1; SMN2CYP1A2
SCHEMBL11900900 0.84 ATM (0.38) TRPA1ATMKEAP1NFE2L2TSHR
Isothiocyanate SCHEMBL330985 0.83 TRPA1 (0.46) TRPA1ATMKEAP1NFE2L2TSHR
Hexamethylbenzene SCHEMBL28405817 0.83 TSHR (0.56) TRPA1ATMTSHRCYP1A2CYP2A6
SCHEMBL6032962 0.83 CYP2A6 (0.41) TRPA1ATMTSHRCYP1A2CYP2A6

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 1111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111303365-A Preparation method of polythiourethane polymer resin 江苏广信感光新材料股份有限公司 2020-06-19 CN claimed
EP-3539998-A1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2019-09-18 EP claimed
EP-2682430-B2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2019-07-17 EP claimed
US-10067266-B2 Method of producing resin for thiourethane-based optical material using general-purpose polyisocyanate compound, resin composition for thiourethane-based optical material and thiourethane-based optical material including resin produced by the method KOC SOLUTION CO., LTD. (KR) 2018-09-04 US claimed
EP-2682430-B1 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY KOC SOLUTION CO LTD (KR) 2015-10-21 EP claimed
US-20150226879-A1 METHOD OF MANUFACTURING THIOURETHANE - BASED OPTICAL MATERIAL KOC SOLUTION CO., LTD. (KR) 2015-08-13 US claimed
EP-2891672-A1 METHOD FOR MANUFACTURING THIOURETHANE-BASED OPTICAL MATERIAL KOC Solution Co. Ltd. (KR) 2015-07-08 EP claimed
CN-104640900-A Preparation method of thiourethane optical material KOC SOLUTION CO LTD 2015-05-20 CN claimed
US-20140039145-A1 METHOD OF PRODUCING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING GENERAL-PURPOSE POLYISOCYANATE COMPOUND, RESIN COMPOSITION FOR THIOURETHANE-BASED OPTICAL MATERIAL AND THIOURETHANE-BASED OPTICAL MATERIAL INCLUDING RESIN PRODUCED BY THE METHOD KOC SOLUTION CO LTD (KR) 2014-02-06 US claimed
EP-2682430-A2 METHOD FOR MANUFACTURING RESIN FOR THIOURETHANE-BASED OPTICAL MATERIAL USING UNIVERSAL POLYISOCYANATE COMPOUND, RESIN COMPOSITION, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2014-01-08 EP claimed
US-20130303721-A1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY MITSUI CHEMICALS, INC. (JP) 2013-11-14 US claimed
EP-2660262-A2 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY Koc Solution Co.,LTD. (KR) 2013-11-06 EP claimed
EP-4748866-A1 AQUEOUS POLYURETHANE DISPERSIONS AND APPLICATIONS THEREOF Covestro Deutschland AG (DE) 2026-05-27 EP disclosed
EP-4731688-A1 METHOD FOR THE PRODUCTION OF A HYDROXYL-GROUP TERMINATED OXAZOLIDINONE COMPOSITION Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
US-12606692-B2 Spectacle lens HOYA LENS THAILAND LTD. (TH) 2026-04-21 US disclosed
US-12590232-B2 Multi-region foldable adhesive film and fabrication method therefor XINMEI FONTANA HOLDING (HONG KONG) LIMITED (CN) 2026-03-31 US disclosed
US-3984297-A PHOTOCURING, CROSSLINKING W. R. GRACE & CO. (US) 1976-10-05 US disclosed
US-3984606-A Curable polyene-polythiol hydantoin coating compositions W. R. GRACE & CO. (US) 1976-10-05 US disclosed
US-3945982-A FROM HYDANTOIN GLYCOLS, MOLDING MATERIALS W. R. GRACE & CO. (US) 1976-03-23 US disclosed
US-3936530-A Method for preparing coatings using curable solid styrene-allyl alcohol copolymer based polyene and polythiol compositions W. R. GRACE & CO. (US) 1976-02-03 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-12590232-B2 Multi-region foldable adhesive film and fabrication method therefor CDH1, SMCHD1, VCL TRPA1 1395/4885ATM 665/4885KEAP1 4099/4885
US-12606692-B2 Spectacle lens POT1, TCOF1, CRY1 TRPA1 871/4885ATM 316/4885KEAP1 2609/4885

“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.