SCHEMBL3096085

SCHEMBL3096085

O=C(O)c1cccc(CO)c1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.41
ALDH1A1 P00352 2/20 0.39
HMGB1 P09429 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KMO O15229 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
ALOX15 P16050 1/20 0.36
CLCN2 P51788 1/20 0.36
FABP4 P15090 2/20 0.35
FABP3 P05413 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4827205 0.79 KMO (0.51) ALDH1A1TSHRACMSDKMOGAA
SCHEMBL28155396 0.79 KMO (0.40) FOLH1ALDH1A1HMGB1ACMSDKMO
SCHEMBL9797619 0.78 ALDH1A1 (0.42) FOLH1ALDH1A1HMGB1TSHRACMSD
SCHEMBL5893668 0.77 BID (0.42) ACMSDKMO
SCHEMBL30281082 0.77 ACMSD (0.39) ALDH1A1HMGB1TSHRACMSDHPGD
SCHEMBL1500383 0.77 ALDH1A1 (0.50) ALDH1A1HMGB1TSHRHPGDNR4A1
SCHEMBL5893158 0.76 BID (0.47) ALOX15KDM4EEPHX1
SCHEMBL9715220 0.75 BID (0.49) ALOX15KDM4EEPHX1
SCHEMBL16954277 0.74 APOBEC3G (0.38) EPHX1
SCHEMBL3096090 0.74 PTGDR2 (0.40) FOLH1ALDH1A1ACMSDHPGDKMO

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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B FOLH1 2171/4885ALDH1A1 159/4885HMGB1 411/4885

“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.