SCHEMBL2295387

SCHEMBL2295387

CCCCc1cccc(CCCC)c1OCc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
PARP10 Q53GL7 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL2292132 0.90 IDO1 (0.47) IDO1ALDH1A1CA12CA9FFAR4
SCHEMBL2295145 0.88 THRA (0.42) IDO1ALDH1A1CA12CA9FFAR4
SCHEMBL2290602 0.84 ALDH1A1 (0.51) IDO1ALDH1A1CA12CA9FFAR4
SCHEMBL2293748 0.83 IDO1 (0.50) IDO1ALDH1A1CA12CA9FFAR4
SCHEMBL4450889 0.80 TAAR1 (0.56) IDO1TAAR1LIPGTSHR
SCHEMBL2291397 0.78 FFAR4 (0.62) IDO1FFAR4FFAR1PARP10BCHE
SCHEMBL2291388 0.78 THRA (0.44) IDO1ALDH1A1CA12CA9FFAR4
SCHEMBL2291276 0.78 PPARA (0.48) FFAR4FFAR1BCHE
SCHEMBL2288674 0.77 PTGER4 (0.42) ALDH1A1HTTSMN1; SMN2PTGER1PTGER4
SCHEMBL2294129 0.77 FFAR4 (0.50) IDO1ALDH1A1FFAR4FFAR1NPC1

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 IDO1 778/4885ALDH1A1 83/4885CA12 1612/4885

“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.