SCHEMBL733710

SCHEMBL733710

CC(C)(C1CCCCC1)C1CCCCC1.N=C=O.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
SCHEMBL332043 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 599 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110010965-B TPU/PCDL composite all-solid-state polymer electrolyte and preparation method thereof 合肥国轩高科动力能源有限公司 2021-02-26 CN claimed
CN-102112548-B Resin composition for urethane optical lens having excellent heat resistance and reactivity KOC SOLUTION CO LTD 2013-07-31 CN claimed
US-8083349-B2 Aliphatic polyesterpolyol-based urethane methacrylate edge coated glass polarized lens CORNERSTONE OPTICAL CO., LTD. (TW) 2011-12-27 US claimed
CN-102112548-A Resin composition for urethane optical lens having excellent heat resistance and reactivity KOC SOLUTION CO LTD 2011-06-29 CN claimed
US-20090207374-A1 EDGE COATED GLASS POLARIZED LENS CORNERSTONE OPTICAL CO., LTD. (TW) 2009-08-20 US claimed
US-6652915-B1 Thixotropic agents BASF COATINGS AG (DE) 2003-11-25 US claimed
EP-0692006-B2 NON-AQUEOUS THIXOTROPED PAINT AND METHOD OF PRODUCING MULTILAYER COATINGS WITH THIS PAINT BASF COATINGS AG (DE) 2001-12-12 EP claimed
US-5858395-A SOLID AT ORDINARY TEMPERATURES, BECOMES LIQUID HAVING A LOW VISCOSITY NEAR THE SKIN TEMPERATURE OF HUMANS TAKIRON CO., LTD. (JP) 1999-01-12 US claimed
EP-0692006-B1 NON-AQUEOUS THIXOTROPED PAINT AND METHOD OF PRODUCING MULTILAYER COATINGS WITH THIS PAINT BASF COATINGS AG (DE) 1998-06-24 EP claimed
US-5723145-A MULTILAYER ELEMENT FOR TRANSDERMAL DRUG DELIVERY TAKIRON CO., LTD. (JP) 1998-03-03 US claimed
EP-0398472-B1 Biodegradable polyurethanes ONO PHARMACEUTICAL CO (JP) 1994-11-30 EP claimed
EP-0398472-A2 Biodegradable polyurethanes ONO PHARMACEUTICAL CO., LTD. (JP) 1990-11-22 EP claimed
CN-122094934-A Polythiol composition and use thereof 2026-05-26 CN disclosed
US-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens MITSUI CHEMICALS, INC. (JP) 2026-05-19 US disclosed
EP-4733341-A1 POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING SAME, RESIN, MOLDED BODY, OPTICAL MATERIAL, AND LENS Mitsui Chemicals, Inc. (JP) 2026-04-29 EP disclosed
EP-3305854-B1 AQUEOUS URETHANE RESIN COMPOSITION AND ARTICLES DAINIPPON INK & CHEMICALS (JP) 2026-04-08 EP disclosed
US-4404347-A Polyisocyanate cross-linked polymers containing cellulosic component NIPPON PAINT CO., LTD. (JP) 1983-09-13 US disclosed
US-4367307-A METALLIZED DYES, VAT DYES KURARAY COMPANY, LIMITED (JP) 1983-01-04 US disclosed
EP-0038202-A1 Polyurethane composition containing a dye KURARAY CO., LTD. (JP) 1981-10-21 EP disclosed
US-3932342-A Methyl methacrylate lacquers containing polyisocyanates NIPPON PAINT CO., LTD. (JA) 1976-01-13 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 (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-12630694-B2 Polythiol composition, polymerizable composition, resin, molded body, optical material, and lens TXNL1, ALG3, TCOF1 ALDH1A1 2820/4885EPHX1 3164/4885SSTR4 3527/4885

“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.