SCHEMBL2811271

SCHEMBL2811271

COC(=O)c1ccc2cccc(Nc3ccc(OC)cc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
NPC1 O15118 5/20 0.52
KMT2A Q03164 3/20 0.52
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PLAU P00749 2/20 0.49
PLG P00747 1/20 0.49
PLAT P00750 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47

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
SCHEMBL2813505 0.88 GAA (0.61) RAB9AKMT2ACA1CA2PLAU
SCHEMBL4594357 0.81 RAB9A (0.63) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL16502564 0.79 CA1 (0.53) RAB9ANPC1KMT2ACASP3SENP7
SCHEMBL30273064 0.77 RAB9A (1.00) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL2114596 0.77 RAB9A (1.00) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL30273063 0.77 RAB9A (1.00) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL5928165 0.76 TCF4 (0.64) RAB9ANPC1KMT2ACA1CA2
SCHEMBL30033633 0.76 GAA (0.59) RAB9ANPC1KMT2ACA1CA2
SCHEMBL20631545 0.76 GAA (0.59) RAB9ANPC1KMT2ACA1CA2
SCHEMBL5436969 0.75 CA1 (0.81) RAB9ANPC1KMT2ACA1CA2

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 6 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
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 RAB9A 1820/4885NPC1 46/4885KMT2A 4710/4885

“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.