SCHEMBL5480228

SCHEMBL5480228

O=C(O)CC(C=Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
PAM P19021 2/20 0.48
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PLIN1 O60240 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
PLIN5 Q00G26 2/20 0.44
ABHD5 Q8WTS1 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL6406292 0.84 ALDH1A1 (0.51) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL7941808 0.83 CYP1A2 (0.47) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL27487715 0.82 CNR2 (0.54) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL27342140 0.81 CYP1A2 (0.53) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL11069954 0.81 CYP1A2 (0.53) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL9306609 0.81 CPA1 (0.44) CYP1A2PAMALDH1A1HDAC3HDAC4
SCHEMBL29083692 0.81 PAM (0.52) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL11580231 0.81 PPARA (0.49) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL29209801 0.80 CYP1A2 (0.51) CYP1A2PAMCNR2ALDH1A1HDAC3
SCHEMBL9632505 0.80 PPARG (0.53) CYP1A2CNR2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070014756-A1 Composition and method for treating the gastro-intestinal tract TOUCHOT NICHOLAS 2007-01-18 US disclosed
US-20040191318-A1 Composition and method for treating the gastro-intestinal tract VILLITECH SARL (FR) 2004-09-30 US disclosed
EP-1462116-A1 Composition for treating the gastrointestinal tract Villitech SARL (FR) 2004-09-29 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 (2 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-20070014756-A1 Composition and method for treating the gastro-intestinal tract GIPR, FABP2, FABP6 CYP1A2 1784/4885PAM 298/4885CNR2 196/4885
US-20040191318-A1 Composition and method for treating the gastro-intestinal tract GIPR, FABP2, FABP6 CYP1A2 1784/4885PAM 298/4885CNR2 196/4885

“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.