SCHEMBL2471084

SCHEMBL2471084

O=C=NC(N=C=O)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
EPHX1 P07099 2/20 0.32
CYP2D6 P10635 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
MLNR O43193 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
FYN P06241 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 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
SCHEMBL29072986 0.78 ALDH1A1 (0.37) ALDH1A1EPHX1SHBG
Cyclohexane SCHEMBL4981074 0.76 ALDH1A1 (0.42) ALDH1A1EPHX1TP53SHBG
SCHEMBL29619577 0.76 ALDH1A1 (0.42) ALDH1A1EPHX1TP53SHBG
SCHEMBL939785 0.76 ALDH1A1 (0.42) ALDH1A1EPHX1TP53SHBG
SCHEMBL105924 0.76 ALDH1A1 (0.42) ALDH1A1EPHX1TP53SHBG
SCHEMBL2768891 0.76 ALDH1A1 (0.42) ALDH1A1EPHX1TP53SHBG
SCHEMBL131131 0.73 ALDH1A1 (0.39) ALDH1A1EPHX1
SCHEMBL957439 0.73 ALDH1A1 (0.39) ALDH1A1EPHX1SHBG
SCHEMBL1149018 0.73 ALDH1A1 (0.39) ALDH1A1EPHX1SHBG
SCHEMBL3284053 0.73 ALDH1A1 (0.39) ALDH1A1EPHX1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370488-B1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL ELKEM SILICONES FRANCE SAS (FR) 2020-03-25 EP claimed
EP-2382044-B1 NOVEL CATALYSTS FOR THE REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL ELKEM SILICONES FRANCE SAS (FR) 2018-08-01 EP claimed
US-9102780-B2 Catalysts for reaction between an isocyanate and an alcohol BLUESTAR SILICONES FRANCE SAS (FR) 2015-08-11 US claimed
US-8816036-B2 Catalysts for reaction between an isocyanate and an alcohol BLUESTAR SILICONES FRANCE SAS (FR) 2014-08-26 US claimed
EP-2382044-A1 NOVEL CATALYSTS FOR THE REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL Bluestar Silicones France (FR) 2011-11-02 EP claimed
US-20110263743-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2011-10-27 US claimed
US-20110257286-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2011-10-20 US claimed
EP-2370488-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL Bluestar Silicones France (FR) 2011-10-05 EP claimed
WO-2010043354-A1 NOVEL CATALYSTS FOR THE REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2010-04-22 WO claimed
WO-2010043353-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2010-04-22 WO claimed
EP-4385086-A2 SECONDARY BATTERY PACK WITH IMPROVED THERMAL MANAGEMENT Elkem Silicones USA Corp. (US) 2024-06-19 EP disclosed
WO-2023018907-A2 SECONDARY BATTERY PACK WITH IMPROVED THERMAL MANAGEMENT Elkem Silicones USA Corp. (US) 2023-02-16 WO disclosed
EP-2370488-B1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL ELKEM SILICONES FRANCE SAS (FR) 2020-03-25 EP disclosed
EP-2382044-B1 NOVEL CATALYSTS FOR THE REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL ELKEM SILICONES FRANCE SAS (FR) 2018-08-01 EP disclosed
US-9102780-B2 Catalysts for reaction between an isocyanate and an alcohol BLUESTAR SILICONES FRANCE SAS (FR) 2015-08-11 US disclosed
EP-2370488-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL Bluestar Silicones France (FR) 2011-10-05 EP disclosed
US-20100133166-A1 COMPOSITE WATER PERMEABLE BRICK AND COMPOSITION FOR PRODUCING THE SAME BEIJING RECHSAND SCIENCE & TECHNOLOGY GROUP CO., L (CN) 2010-06-03 US disclosed
WO-2010043354-A1 NOVEL CATALYSTS FOR THE REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2010-04-22 WO disclosed
WO-2010043353-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL BLUESTAR SILICONES FRANCE (FR) 2010-04-22 WO disclosed
US-4675437-A Cycloaliphatic triisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1987-06-23 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-20110257286-A1 NOVEL CATALYSTS FOR REACTION BETWEEN AN ISOCYANATE AND AN ALCOHOL ADH1C, ADH1A, IDH3A ALDH1A1 242/4885EPHX1 3755/4885CYP2D6 1567/4885

“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.