SCHEMBL218138

SCHEMBL218138

CC(=O)OC(C)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
MMP12 P39900 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP1A2 P05177 1/20 0.35
SLC18A3 Q16572 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL13027401 1.00 HTT (0.45) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL11026259 0.84 HTT (0.44) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL607431 0.81 HTT (0.41) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL16672485 0.79 ESR1 (0.45) ALDH1A1CYP3A4MMP12TSHR
SCHEMBL1240161 0.79 MMP12 (0.42) HTTCYP2C19ALDH1A1CYP3A4MMP12
SCHEMBL9332801 0.78 CYP2C19 (0.44) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL8641743 0.78 CYP2C19 (0.44) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL19451976 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4MMP12TSHR
SCHEMBL29092768 0.78 POLB (0.50) HTTCYP2C19ALDH1A1TSHRCYP1A2
SCHEMBL341157 0.78 ALDH1A1 (0.39) CYP2C19ALDH1A1CYP3A4MMP12TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088819-B2 Derivatives of substituted 3-phenyl-1-(phenylthienyl)propan-1-ones and of 3-phenyl-1-(phenylfuranyl) propan-1-ones, preparation and use GENFIT (FR) 2012-01-03 US disclosed
US-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE GENFIT (FR) 2010-02-04 US 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-20100029745-A1 DERIVATIVES OF SUBSTITUTED 3-PHENYL-1-(PHENYLTHIENYL)PROPAN-1-ONES AND OF 3-PHENYL-1-(PHENYLFURANYL) PROPAN-1-ONES, PREPARATION AND USE TPP1, NAT1, PGC HTT 5/4885CYP2C19 1176/4885CYP2C9 846/4885

“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.