SCHEMBL2287484

SCHEMBL2287484

CC(C)Cc1ccccc1OCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
IDO1 P14902 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR4 Q5NUL3 2/20 0.42
PARP10 Q53GL7 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL2290205 0.85 FFAR4 (0.50) ALDH1A1IDO1NPC1MAPTHTT
SCHEMBL2291846 0.85 FFAR4 (0.45) ALDH1A1IDO1NPC1MAPTHTT
SCHEMBL2287392 0.83 IDO1 (0.46) ALDH1A1IDO1NPC1MAPTHTT
SCHEMBL18171756 0.82 ALDH1A1 (0.66) ALDH1A1IDO1NPC1MAPTHTT
SCHEMBL2288392 0.81 ALDH1A1 (0.61) ALDH1A1IDO1NPC1MAPTHTT
SCHEMBL2288075 0.80 ALDH1A1 (0.53) ALDH1A1IDO1NPC1MAPTHTT
SCHEMBL4685387 0.80 GABRA1 (0.52) ALDH1A1IDO1GABRA1GABRB2TSHR
SCHEMBL23046957 0.79 HTR1A (0.61) ALDH1A1MAPTRAB9AABCG2ABCB1
SCHEMBL2290707 0.78 IDO1 (0.41) ALDH1A1IDO1NPC1MAPTHTT
Methoxymethane SCHEMBL27754277 0.78 GABRA1 (0.47) IDO1GABRA1GABRB2TSHRCA12

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 6 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
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN 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
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN 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 83/4885IDO1 778/4885NPC1 3684/4885

“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.