SCHEMBL2293898

SCHEMBL2293898

CCc1cc(C)cc(CBr)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
AMY1A P0DUB6 1/20 0.31
HSPA5 P11021 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL469841 0.91 GABRA1 (0.52) GABRA1GABRB2ALOX15ALOX12AMY1A
SCHEMBL27777991 0.83 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL3593411 0.79 GABRA1 (0.41) GABRA1GABRB2ALOX15AMY1AHSPA5
SCHEMBL2290449 0.79 ALDH1A1 (0.33) ALOX15AMY1AHSPA5CYP2C9CYP2C19
SCHEMBL1224583 0.76 KMT2A (0.32) GABRA1GABRB2ALOX15ALOX12KMT2A
SCHEMBL21021410 0.76 GABRA1 (0.38) GABRA1GABRB2AMY1AHSPA5KMT2A
SCHEMBL1814268 0.75 KDM4E (0.44) GABRA1GABRB2ALDH1A1HPGD
SCHEMBL27777992 0.75 GABRA1 (0.34) GABRA1GABRB2ALOX15ALOX12
SCHEMBL11840512 0.72 ACHE (0.35) AMY1AHSPA5CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17873619 0.72 GABRA1 (0.55) GABRA1GABRB2ALOX15ALOX12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 GABRA1 2003/4885GABRB2 1555/4885ALOX15 2305/4885

“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.