SCHEMBL2295145

SCHEMBL2295145

CCCCc1cc(CCCC)c(OCc2ccccc2Br)c(CCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
FFAR4 Q5NUL3 2/20 0.41
IDO1 P14902 2/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PARP10 Q53GL7 1/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 2/20 0.36
LMNA P02545 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL2291388 0.88 THRA (0.44) THRATHRBFFAR4IDO1FFAR1
SCHEMBL2295387 0.88 IDO1 (0.44) THRATHRBFFAR4IDO1FFAR1
SCHEMBL2292592 0.83 FFAR4 (0.53) THRBFFAR4FFAR1ALDH1A1NPC1
SCHEMBL2294129 0.81 FFAR4 (0.50) FFAR4IDO1FFAR1ALDH1A1NPC1
SCHEMBL2289815 0.80 PTGER4 (0.38) THRATHRBALDH1A1HTTSMN1; SMN2
SCHEMBL2291397 0.79 FFAR4 (0.62) FFAR4IDO1FFAR1PARP10BCHE
SCHEMBL2293056 0.79 MAPT (0.45) THRATHRBFFAR4IDO1FFAR1
SCHEMBL2290602 0.79 ALDH1A1 (0.51) THRATHRBFFAR4IDO1FFAR1
SCHEMBL2291276 0.79 PPARA (0.48) FFAR4FFAR1BCHE
SCHEMBL2292132 0.79 IDO1 (0.47) THRATHRBFFAR4IDO1FFAR1

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 THRA 3834/4885THRB 4314/4885FFAR4 3092/4885

“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.