SCHEMBL2293789

SCHEMBL2293789

Cc1cccc(C)c1OCc1cc(CSc2ccccc2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 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
SCHEMBL2293554 0.84 THRA (0.39) ALDH1A1THRATHRBCYP3A4CYP1A2
SCHEMBL3150639 0.84 ALDH1A1 (0.41) ALDH1A1HTTTHRATHRBCYP3A4
SCHEMBL1200920 0.82 ALDH1A1 (0.42) ALDH1A1HTTCYP3A4CYP2C19CYP1A2
SCHEMBL27777987 0.80 FFAR4 (0.37) ALDH1A1THRATHRBCYP3A4CYP1A2
SCHEMBL2290430 0.79 THRA (0.40) ALDH1A1THRATHRBCYP3A4CYP1A2
SCHEMBL1200847 0.78 ALDH1A1 (0.39) ALDH1A1HTTCYP3A4CYP2C19CYP1A2
SCHEMBL2290297 0.78 THRA (0.40) ALDH1A1HTTTHRATHRBCYP3A4
SCHEMBL2293620 0.76 THRA (0.39) THRATHRBFFAR4SLC6A4SCN4A
SCHEMBL2294677 0.75 BCHE (0.41) THRATHRBCYP2C19CYP1A2FFAR4
SCHEMBL2293312 0.75 SLC6A4 (0.41) ALDH1A1HTTCYP3A4CYP2C19CYP1A2

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 83/4885HTT 1687/4885THRA 3834/4885

“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.