SCHEMBL484046

SCHEMBL484046

Cc1ccc(N=C=O)cc1Sc1cc(N=C=O)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.61
TRPA1 O75762 1/20 0.61
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL29466689 0.89 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL740707 0.89 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL27887502 0.85 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL6844012 0.85 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL384584 0.81 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL330595 0.81 P2RY6 (0.39) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL58809 0.79 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28119799 0.79 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL1493132 0.78 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11680555 0.77 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-11958937-B2 Polymerizable composition and optical material produced therefrom SK PUCORE CO., LTD. (KR) 2024-04-16 US disclosed
EP-3539998-B1 METHOD FOR MANUFACTURING RESIN FOR URETHANE-BASED OPTICAL MATERIAL, RESIN COMPOSITION FOR SAME, AND OPTICAL MATERIAL MANUFACTURED THEREBY MITSUI CHEMICALS INC (JP) 2023-10-18 EP disclosed
US-11767467-B2 Photochromic compound and curable composition containing said photochromic compound TOKUYAMA CORPORATION (JP) 2023-09-26 US disclosed
EP-2970554-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2023-09-20 EP disclosed
US-11760721-B2 Polymerizable composition for polythiourethane-based optical material SKC CO., LTD. (KR) 2023-09-19 US disclosed
EP-0329386-B1 S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens MITSUI TOATSU CHEMICALS (JP) 1994-08-03 EP disclosed
US-5283312-A Colorless, transparent, high refractive index, heat resistance, low dispersion; polythiourethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1994-02-01 US disclosed
EP-0528590-A1 Mercapto compound, its preparation process, and sulfur-containing urethane resins and lenses using the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-02-24 EP disclosed
US-4946923-A S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens MITSUI TOATSU CHEMICALS, INC. (JP) 1990-08-07 US disclosed
EP-0329386-A2 S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-23 EP 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-11760721-B2 Polymerizable composition for polythiourethane-based optical material LAGE3, INCENP, IK CYP3A4 3947/4885TRPA1 2396/4885TDP1 2316/4885

“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.