SCHEMBL981884

SCHEMBL981884

CCCC1CCCC(CCC)(CCC)C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
ADORA1 P30542 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
SCHEMBL10910140 0.88 ADORA1 (0.34) ADORA1
SCHEMBL983172 0.81 CYP1A2 (0.50) CYP1A2
SCHEMBL19066933 0.75 CYP1A2 (0.53) CYP1A2
SCHEMBL6944623 0.75 CYP1A2 (0.37) CYP1A2
SCHEMBL21134597 0.73 CYP1A2 (0.35) CYP1A2
Urea SCHEMBL1836708 0.73 CYP1A2 (0.42) CYP1A2
SCHEMBL23439120 0.72 CYP1A2 (0.34) CYP1A2
SCHEMBL15798281 0.72 ARG1 (0.36) CYP1A2
SCHEMBL466147 0.72 ARG1 (0.36) CYP1A2
SCHEMBL15798452 0.72 CYP1A2 (0.31) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046645-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-06-29 US claimed
US-20190233371-A1 Isothiocyanate Production Method, Composition for Transporting and Storing N-Substituted O-Substituted Thiocarbamate, and Isothiocyanate Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-08-01 US claimed
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP claimed
EP-2792673-A1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds Asahi Kasei Chemicals Corporation (JP) 2014-10-22 EP claimed
US-12275710-B2 Compound, curing agent composition, resin composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-04-15 US disclosed
CN-111320562-B Method for producing isothiocyanate 旭化成株式会社 2022-08-16 CN disclosed
CN-111205424-B Modified resin and resin composition 旭化成株式会社 2022-04-08 CN disclosed
CN-113929866-A Modified resin and resin composition 旭化成株式会社 2022-01-14 CN disclosed
CN-113880741-A Method for producing isothiocyanate 旭化成株式会社 2022-01-04 CN disclosed
US-11192853-B2 Separation method and method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-12-07 US disclosed
US-20210238141-A1 COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-05 US disclosed
US-11046645-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2021-06-29 US disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 US disclosed
EP-2213658-A1 METHOD FOR PRODUCTION OF ISOCYANATE AND AROMATIC HYDROXY COMPOUND Asahi Kasei Chemicals Corporation (JP) 2010-08-04 EP disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 US disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 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 (9 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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 CYP1A2 308/4885ADORA1 4037/4885
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR CYP1A2 32/4885ADORA1 3964/4885
US-11046645-B2 Isothiocyanate production method, composition for transporting and storing N-substituted O-substituted thiocarbamate, and isothiocyanate composition TST, SLCO4C1, SLCO2B1 CYP1A2 923/4885ADORA1 974/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH CYP1A2 205/4885ADORA1 4767/4885
US-20190233371-A1 Isothiocyanate Production Method, Composition for Transporting and Storing N-Substituted O-Substituted Thiocarbamate, and Isothiocyanate Composition TST, SLCO4C1, SLCO2B1 CYP1A2 923/4885ADORA1 974/4885
US-11192853-B2 Separation method and method for producing isocyanate IDH3A, IDH3B, CA9 CYP1A2 527/4885ADORA1 4616/4885
US-12275710-B2 Compound, curing agent composition, resin composition, coating composition and resin cured product CARM1, KDM2B, UFM1 CYP1A2 2226/4885ADORA1 3407/4885
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD CYP1A2 428/4885ADORA1 3358/4885
US-20210238141-A1 COMPOUND, CURING AGENT COMPOSITION, RESIN COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT CARM1, KDM2B, UFM1 CYP1A2 2226/4885ADORA1 3407/4885

“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.