SCHEMBL2290707

SCHEMBL2290707

CC(C)Cc1cc(CC(C)C)c(OCc2ccccc2Br)c(CC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
FFAR1 O14842 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 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
SCHEMBL2287392 0.88 IDO1 (0.46) IDO1ALDH1A1NPC1MAPTHTT
SCHEMBL2290205 0.83 FFAR4 (0.50) IDO1ALDH1A1NPC1MAPTHTT
SCHEMBL2291846 0.80 FFAR4 (0.45) IDO1ALDH1A1NPC1MAPTHTT
SCHEMBL2290712 0.79 GABRA1 (0.36) ALDH1A1NPC1MAPTHTTRAB9A
SCHEMBL2290404 0.79 FFAR4 (0.59) IDO1ALDH1A1FFAR4FFAR1PARP10
SCHEMBL2287484 0.78 ALDH1A1 (0.53) IDO1ALDH1A1NPC1MAPTHTT
SCHEMBL2293337 0.78 MAOB (0.45) IDO1FFAR4FFAR1PARP10
SCHEMBL2293056 0.77 MAPT (0.45) IDO1ALDH1A1NPC1MAPTHTT
SCHEMBL4685387 0.75 GABRA1 (0.52) IDO1ALDH1A1GABRA1GABRB2
SCHEMBL2291388 0.75 THRA (0.44) IDO1ALDH1A1NPC1MAPTHTT

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 5 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
EP-2342275-A1 SULFUR-CONTAINING CYCLOALIPHATIC COMPOUND, PROCESS FOR ITS PREPARATION, FILLED SULFUR-VULCANIZABLE ELASTOMER COMPOSITION CONTAINING SAME AND ARTICLES FABRICATED THEREFROM Momentive Performance Materials Inc. (US) 2011-07-13 EP 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 83/4885NPC1 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.