SCHEMBL332043

SCHEMBL332043

CC(C)(C1CCCCC1)C1CCCCC1.N=C=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.31
SSTR4 P31391 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
SCHEMBL733710 1.00 ALDH1A1 (0.32) ALDH1A1EPHX1SSTR4
Isothiocyanate SCHEMBL332271 0.85 MEN1 (0.30) ALDH1A1
SCHEMBL4040094 0.85 EPHX1 (0.44) ALDH1A1EPHX1SSTR4
SCHEMBL29024831 0.84 EPHX1 (0.33) ALDH1A1EPHX1SSTR4
SCHEMBL133604 0.84 EPHX1 (0.33) ALDH1A1EPHX1SSTR4
SCHEMBL9016315 0.84 EPHX1 (0.33) ALDH1A1EPHX1SSTR4
SCHEMBL19809440 0.81 EPHX1 (0.37) ALDH1A1EPHX1SSTR4
Ammonia Solution, Strong SCHEMBL4197768 0.81 EPHX1 (0.32) ALDH1A1EPHX1SSTR4
Benzene SCHEMBL3916200 0.76 KEAP1 (0.34) EPHX1
SCHEMBL31679043 0.75 ALDH1A1 (0.32) ALDH1A1

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 520 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
CN-105646835-B The manufacture method of polymerizable composition for optical material, optical material and optical material 三井化学株式会社 2018-05-04 CN 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-12590232-B2 Multi-region foldable adhesive film and fabrication method therefor XINMEI FONTANA HOLDING (HONG KONG) LIMITED (CN) 2026-03-31 US disclosed
US-12583963-B2 Polymerizable composition and optical material using the same SK PUCORE CO., LTD. (KR) 2026-03-24 US disclosed
EP-3922656-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, OPTICAL MATERIAL AND USE OF SAME MITSUI CHEMICALS INC (JP) 2026-01-14 EP disclosed
EP-3919584-B1 METHOD FOR PRODUCING POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2025-12-24 EP disclosed
EP-1988110-A1 INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2008-11-05 EP disclosed
US-20080036964-A1 Plastic polarized lens and method of producing the same MITSUI CHEMICALS, INC. (JP) 2008-02-14 US disclosed
EP-0553801-B1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS (JP) 1997-04-23 EP disclosed
US-5389708-A Polymerizing polyisocyanate or polyisothiocyanate with polyol or polythiol in presence of thiophosphoric or dithiophosphoric acid ester MITSUI TOATSU CHEMICALS, INC. (JP) 1995-02-14 US disclosed
EP-0553801-A1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 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 (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-12583963-B2 Polymerizable composition and optical material using the same OR10J3, PKD1, PKD2 ALDH1A1 274/4885EPHX1 2530/4885SSTR4 3234/4885
US-12590232-B2 Multi-region foldable adhesive film and fabrication method therefor CDH1, SMCHD1, VCL ALDH1A1 340/4885EPHX1 2562/4885SSTR4 3721/4885

“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.