SCHEMBL2811097

SCHEMBL2811097

COC(=O)c1cccc2[nH]c(-c3ccc(OC)cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.77
PLA2G2A P14555 1/20 0.77
ALOX15 P16050 1/20 0.77
PTGS2 P35354 1/20 0.77
PKN1 Q16512 2/20 0.75
PKN2 Q16513 2/20 0.75
DHODH Q02127 6/20 0.60
CHEK2 O96017 1/20 0.58
HPSE Q9Y251 1/20 0.55

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
Acetic Acid SCHEMBL7318987 0.96 PARP1 (0.72) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL29087633 0.88 PKN1 (0.77) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL7325071 0.88 PARP1 (0.79) PARP1PLA2G2AALOX15PTGS2DHODH
SCHEMBL2815222 0.88 PKN1 (0.77) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL505325 0.88 PKN1 (0.77) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL7322715 0.88 PKN1 (0.81) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL18255504 0.88 PKN1 (0.69) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL7312040 0.88 PARP1 (0.74) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL7319077 0.87 PARP1 (1.00) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL22453146 0.87 PKN1 (0.75) PARP1PLA2G2AALOX15PTGS2PKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 PARP1 3922/4885PLA2G2A 524/4885ALOX15 850/4885

“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.