SCHEMBL570175

SCHEMBL570175

CC1CC(N=C=O)CCC1(C)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 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
SCHEMBL19859417 0.83 ALDH1A1 (0.35) ALDH1A1CYP3A4
SCHEMBL28626167 0.80
SCHEMBL30294089 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL730466 0.72
SCHEMBL15574 0.72 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL9680314 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11131593 0.71
SCHEMBL2048546 0.71 ALDH1A1 (0.31) ALDH1A1
Cyclohexane SCHEMBL3386540 0.69 ALDH1A1 (0.54) ALDH1A1CYP3A4
SCHEMBL10996708 0.69 ALDH1A1 (0.39) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3747949-B1 POLYURETHANE RESIN COMPOSITION KCC CORP (KR) 2024-12-04 EP claimed
EP-3892683-B1 POLYURETHANE RESIN COMPOSITION KCC CORP (KR) 2024-11-06 EP claimed
EP-3747948-B1 POLYURETHANE RESIN COMPOSITION KCC CORP (KR) 2024-01-03 EP claimed
US-20230383127-A1 BORONIC ESTERS AND COATINGS COMPRISING THEM PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2023-11-30 US claimed
EP-4229138-A1 BORONIC ESTERS AND COATINGS COMPRISING THEM Petroliam Nasional Berhad (Petronas) (MY) 2023-08-23 EP claimed
CN-111655790-B Polyurethane resin composition KCC公司 2022-12-20 CN claimed
WO-2022086317-A1 BORONIC ESTERS AND COATINGS COMPRISING THEM PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2022-04-28 WO claimed
CN-111655789-B Polyurethane resin composition KCC公司 2022-03-08 CN claimed
EP-3892683-A1 POLYURETHANE RESIN COMPOSITION KCC Corporation (KR) 2021-10-13 EP claimed
EP-3880731-A1 PROCESS FOR PREPARING PREPOLYMERS THAT COMPRISE A POLYOXYMETHYLENE BLOCK Covestro Intellectual Property GmbH & Co. KG (DE) 2021-09-22 EP claimed
US-7553906-B2 Polyisocyanate curing agents BAYER MATERIALSCIENCE AG (DE) 2009-06-30 US claimed
US-20080188678-A1 Near-infrared-absorbing organic electrochromic materials WANG ZHI YUAN 2008-08-07 US claimed
CN-1721485-A Polyurethane dispersion prepared from a high acid functional polyester BAYER MATERIALSCIENCE LLC (US) 2006-01-18 CN claimed
CN-1712423-A Polyurethane dispersions with high acid content BAYER MATERIALSCIENCE LLC (US) 2005-12-28 CN claimed
US-6815528-B2 COMPLEX OF RUTHENIUM COMPOUND AND POLYMER TWLINKS INC. (CA) 2004-11-09 US claimed
US-20040132909-A1 Dual cure systems ALLNEX NETHERLANDS B.V. (NL) 2004-07-08 US claimed
US-20030066989-A1 Organic electrochromic materials for optical attenuation in the near infrared region TWLINKS INC. (CA) 2003-04-10 US claimed
EP-0944662-A1 POLYESTERCARBONATE-POLYURETHANEUREA FIBERS DU PONT-TORAY COMPANY, LTD. (JP) 1999-09-29 EP claimed
WO-1998025986-A1 POLYESTERCARBONATE-POLYURETHANEUREA FIBERS DU PONT-TORAY COMPANY, LTD. (JP) 1998-06-18 WO claimed
US-4619970-A CHROMATOGRAPHIC RESOLUING AGENT OF SILION GEL BONDED TO OPTICALLY ACTIVE POLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1986-10-28 US claimed

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-20080188678-A1 Near-infrared-absorbing organic electrochromic materials VDAC2, VDAC1, VAPA ALDH1A1 2304/4885CYP3A4 834/4885

“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.