SCHEMBL3096090

SCHEMBL3096090

O=C(O)c1cccc(C2CCC2)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
PDE4D Q08499 1/20 0.38
ACMSD Q8TDX5 2/20 0.37
KMO O15229 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NOTUM Q6P988 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4392864 0.81 PTGDR2 (0.44) PTGDR2ACMSDKMONOTUMALDH1A1
SCHEMBL3634253 0.79 ALDH1A1 (0.50) PTGDR2ACMSDALDH1A1ALOX15CYP2D6
SCHEMBL1514834 0.79 NOTUM (0.43) PTGDR2PDE4DHCRTR1HCRTR2NOTUM
SCHEMBL3113022 0.78 ACMSD (0.40) PTGDR2ACMSDKMOALOX5APFEN1
SCHEMBL29804902 0.78 ACMSD (0.40) PTGDR2ACMSDKMOALOX5APFEN1
SCHEMBL15648151 0.78 ALDH1A1 (0.48) PTGDR2ACMSDALDH1A1ALOX15CYP2D6
SCHEMBL27728938 0.77 G6PD (0.50) PTGDR2ACMSDKMOALOX5APFEN1
SCHEMBL8477925 0.76 ALDH1A1 (0.55) ACMSDALDH1A1ALOX15KDM4ECYP1A2
SCHEMBL10790315 0.76 ACMSD (0.49) PTGDR2ACMSDKMOALDH1A1ALOX15
SCHEMBL2731512 0.75 ALDH1A1 (0.50) PTGDR2ACMSDKMOALDH1A1ALOX15

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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B PTGDR2 58/4885PDE4D 1280/4885ACMSD 2994/4885

“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.