SCHEMBL2291189

SCHEMBL2291189

BrCc1cc(Oc2ccccc2)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 2/20 0.41
RHEB Q15382 2/20 0.41
NAAA Q02083 2/20 0.41
MAOA P21397 2/20 0.41
NR1H2 P55055 1/20 0.41
BAX Q07812 1/20 0.41
GSTP1 P09211 1/20 0.39
SOS1 Q07889 1/20 0.39
PLA2G2A P14555 1/20 0.39
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP1 Q9C000 1/20 0.38

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
SCHEMBL17274291 0.85 NAAA (0.50) LTA4HTSHRMAOBRHEBNAAA
SCHEMBL5784934 0.84 LTA4H (0.53) LTA4HTSHRMAOBRHEBNAAA
SCHEMBL7857215 0.84 MAOA (0.42) MAOBMAOAMEN1ALDH1A1MAPT
SCHEMBL11312730 0.84 LTA4H (0.43) LTA4HTSHRMAOBRHEBNAAA
SCHEMBL2294122 0.84 SOS1 (0.41) LTA4HSOS1
SCHEMBL2287390 0.84 LTA4H (0.44) LTA4HMEN1ALDH1A1MAPTKMT2A
SCHEMBL1846822 0.81 CAMK2A (0.45) LTA4HTSHRMAOBMAOANR1H2
SCHEMBL11383668 0.80 LTA4H (0.43) LTA4HTSHRMAOBMAOANR1H2
SCHEMBL10836783 0.80 PGR (0.43) LTA4HTSHRMAOBMAOANR1H2
SCHEMBL29011936 0.80 PARP15 (0.41) MAOBNAAAMEN1MAPTKMT2A

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
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
EP-0003380-B1 PROCESS FOR THE MANUFACTURE OF A MIXTURE OF 3-PHENOXYBENZYL BROMIDE AND 3-PHENOXYBENZAL BROMIDE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-01-27 EP disclosed
US-4242121-A USING A PHENOXYBENZOIC ACID, ITS ESTER OR SALT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-30 US disclosed
EP-0003380-A1 Process for the manufacture of a mixture of 3-phenoxybenzyl bromide and 3-phenoxybenzal bromide SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-08 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 LTA4H 1724/4885TSHR 4005/4885MAOB 272/4885

“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.