SCHEMBL2287392

SCHEMBL2287392

CC(C)Cc1cccc(CC(C)C)c1OCc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
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
FFAR1 O14842 1/20 0.38
TAAR1 Q96RJ0 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
TSHR P16473 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 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
SCHEMBL2290707 0.88 IDO1 (0.41) IDO1GABRA1GABRB2ALDH1A1PARP10
SCHEMBL2287484 0.83 ALDH1A1 (0.53) IDO1GABRA1GABRB2ALDH1A1PARP10
SCHEMBL2293748 0.81 IDO1 (0.50) IDO1GABRA1GABRB2ALDH1A1PARP10
SCHEMBL2290725 0.80 IDO1 (0.46) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL4685387 0.80 GABRA1 (0.52) IDO1GABRA1GABRB2ALDH1A1TAAR1
SCHEMBL2292132 0.78 IDO1 (0.47) IDO1GABRA1GABRB2ALDH1A1PARP10
SCHEMBL2290404 0.78 FFAR4 (0.59) IDO1ALDH1A1PARP10FFAR4FFAR1
SCHEMBL2290933 0.77 IDO1 (0.50) IDO1ALDH1A1PARP10NPC1MAPT
SCHEMBL2293337 0.77 MAOB (0.45) IDO1PARP10FFAR4FFAR1TAAR1
SCHEMBL2287987 0.76 GABRA1 (0.40) GABRA1GABRB2ALDH1A1NPC1HTT

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 778/4885GABRA1 2003/4885GABRB2 1555/4885

“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.