SCHEMBL2290205

SCHEMBL2290205

CC(C)Cc1ccc(OCc2ccccc2Br)c(CC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.50
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CD274 Q9NZQ7 2/20 0.41
PDCD1 Q15116 1/20 0.41
CCR5 P51681 1/20 0.40
FFAR1 O14842 1/20 0.39
IDO1 P14902 2/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ABCB1 P08183 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL2291846 0.89 FFAR4 (0.45) FFAR4ALDH1A1RAB9ANPC1MAPT
SCHEMBL2287484 0.85 ALDH1A1 (0.53) FFAR4ALDH1A1RAB9ANPC1MAPT
SCHEMBL2290707 0.83 IDO1 (0.41) FFAR4ALDH1A1RAB9ANPC1MAPT
SCHEMBL2289157 0.80 FFAR4 (0.47) FFAR4ALDH1A1RAB9ANPC1MAPT
SCHEMBL2290404 0.80 FFAR4 (0.59) FFAR4ALDH1A1FFAR1IDO1
SCHEMBL2293337 0.79 MAOB (0.45) FFAR4CD274FFAR1IDO1
SCHEMBL2291112 0.78 FFAR4 (0.54) FFAR4ALDH1A1RAB9ANPC1MAPT
SCHEMBL2287392 0.76 IDO1 (0.46) FFAR4ALDH1A1RAB9ANPC1MAPT
SCHEMBL2290287 0.76 FFAR4 (0.55) FFAR4ALDH1A1RAB9ANPC1MAPT
SCHEMBL2292592 0.74 FFAR4 (0.53) FFAR4ALDH1A1RAB9ANPC1MAPT

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 FFAR4 3092/4885ALDH1A1 83/4885RAB9A 3843/4885

“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.