SCHEMBL436385

SCHEMBL436385

CNc1c(C)cc(C)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.38
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4084555 0.82 RAPGEF4 (0.35) RAPGEF4ALDH1A1
SCHEMBL29196013 0.80 RAPGEF4 (0.52) RAPGEF4
SCHEMBL26244538 0.77 CYP3A4 (0.40) ALDH1A1
SCHEMBL13744812 0.77 CYP3A4 (0.40) RAPGEF4ALDH1A1
SCHEMBL18726361 0.77 ALDH1A1 (0.38) RAPGEF4ALDH1A1
SCHEMBL19121816 0.74 LMNA (0.31) RAPGEF4
SCHEMBL16105836 0.73 SHBG (0.46) RAPGEF4ALDH1A1
SCHEMBL24079376 0.72
SCHEMBL18183245 0.72 CYP3A4 (0.41) RAPGEF4
SCHEMBL1131928 0.72 CYP3A4 (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
CN-103958548-B Use the manufacture method of the olefin block polymers of multiple transition-metal catalyst SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-05-18 CN disclosed
CN-103958548-A Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed
CN-101878236-B Ethylene-alpha-olefin copolymer and molded body SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
CN-103732632-A Method for producing olefin block polymer using group 4 transition metal complex SUMITOMO CHEMICAL CO 2014-04-16 CN disclosed
US-20120065351-A1 ETHYLENE-ALPHA-OLEFIN COPOLYMER AND MOLDED ARTICLE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 US disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 RAPGEF4 557/4885ALDH1A1 3524/4885

“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.