SCHEMBL2290725

SCHEMBL2290725

CC(C)c1cccc(C(C)C)c1OCc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
ALDH1A1 P00352 2/20 0.42
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
TSHR P16473 2/20 0.38
GLRA1 P23415 1/20 0.38
ALOX15 P16050 1/20 0.38
FFAR1 O14842 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL2291492 0.86 IDO1 (0.42) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL2288075 0.83 ALDH1A1 (0.53) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL2287392 0.80 IDO1 (0.46) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL2559245 0.78 GLRA1 (0.40) TSHRGLRA1ALOX15FABP4FABP5
SCHEMBL2293748 0.77 IDO1 (0.50) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL2290933 0.77 IDO1 (0.50) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL1539470 0.76 GLRA1 (0.39) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL2292132 0.75 IDO1 (0.47) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL15375432 0.74 FABP4 (0.57) GLRA1FABP4FABP5
SCHEMBL15375387 0.74 GLRA1 (0.37) TSHRGLRA1ALOX15FABP4FABP5

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 83/4885PARP10 167/4885

“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.