SCHEMBL2290449

SCHEMBL2290449

Cc1cc(C)c(Br)c(CBr)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HIF1A Q16665 3/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
AMY1A P0DUB6 1/20 0.32
HSPA5 P11021 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
MAPK1 P28482 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
SCHEMBL3593411 0.81 GABRA1 (0.41) ALDH1A1HIF1ARAPGEF4HSD17B10CYP1A2
SCHEMBL6923614 0.79 SHBG (0.36) ALDH1A1HIF1ARAPGEF4HSD17B10CYP1A2
SCHEMBL2293898 0.79 GABRA1 (0.44) ALDH1A1HIF1AALOX15AMY1AHSPA5
SCHEMBL16248904 0.77 CYP3A4 (0.39) ALDH1A1HIF1AHSD17B10CYP1A2ALOX15
SCHEMBL6825426 0.76 ALDH1A1 (0.38) ALDH1A1HIF1AHSD17B10CYP1A2ALOX15
SCHEMBL156826 0.76 RAPGEF4 (0.45) ALDH1A1RAPGEF4HSD17B10CYP1A2KDM4E
SCHEMBL14682851 0.74 ALDH1A1 (0.46) ALDH1A1HIF1AHSD17B10AMY1AHSPA5
SCHEMBL20577412 0.74 RAPGEF4 (0.32) RAPGEF4KDM4EL3MBTL1
SCHEMBL7456451 0.74 RAPGEF4 (0.39) ALDH1A1RAPGEF4ALOX15L3MBTL1
SCHEMBL2289174 0.74 ALDH1A1 (0.39) ALDH1A1CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 EP disclosed
US-6210863-B1 ORTHO-SUBSTITUTED ON AT LEAST TWO ARYL RADICALS, ADDITION POLYMERIZATION CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-03 US disclosed
US-6057078-A PHOTOGRAPHY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-02 US disclosed
US-5952152-A POLYMERIZABLE MIXTURE COMPRISING AT LEAST ONE ETHYLENICALLY UNSATURATED COMPOUND AND AN ANIONIC BORON COMPOUND ACTIVATOR CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-09-14 US disclosed
US-5807905-A POLYMERIZATION OF UNSATURATED COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-15 US disclosed
EP-0520235-B1 Method of preparing 2-bromo-4,6-dinitromesitylene DU PONT (US) 1995-03-29 EP disclosed
EP-0520235-A2 Method of preparing 2-bromo-4,6-dinitromesitylene E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-30 EP disclosed
US-5118880-A Mixing fuming sulfuric acid with bromomesitylene, then concentrated nitric acid E. I. DU PONT DE NEMOURS & CO. (US) 1992-06-02 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 (2 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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 4121/4885HIF1A 3815/4885RAPGEF4 179/4885
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 ALDH1A1 83/4885HIF1A 2987/4885RAPGEF4 2504/4885

“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.