SCHEMBL2289307

SCHEMBL2289307

CC(C)(C)c1ccc(C(C)(C)C)c(OCc2ccccc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
IDO1 P14902 2/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALOX5AP P20292 1/20 0.38
PARP10 Q53GL7 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
SCHEMBL2291232 0.89 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL20008392 0.88 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL2293075 0.83 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL2288019 0.80 CDK4 (0.39) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL2291817 0.79 IDO1 (0.42) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL2294503 0.77 PARP10 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2294476 0.77 SOD1 (0.55) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL2290594 0.74 IDO1 (0.46) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL22276350 0.73 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HTTMAPK1
SCHEMBL18171756 0.72 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2NPC1HTT

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 ALDH1A1 83/4885MAPT 3284/4885SMN1; SMN2 3093/4885

“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.