SCHEMBL2815530

SCHEMBL2815530

COC(=O)C1CCCc2cc(-c3ccc(O)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.43
NR1H4 Q96RI1 1/20 0.41
CYP17A1 P05093 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP11B1 P15538 2/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
AKR1C3 P42330 1/20 0.39
MIF P14174 2/20 0.39
CYP11B2 P19099 2/20 0.38
CAMK2A Q9UQM7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TAS1R2 Q8TE23 1/20 0.36
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 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
SCHEMBL2813791 0.92 AKR1C3 (0.42) HSD17B1ESR1ESR2AKR1C3MIF
SCHEMBL2813805 0.89 ESR1 (0.47) HSD17B1CYP3A4ESR1ESR2AKR1C3
SCHEMBL30940153 0.89 ESR1 (0.47) HSD17B1CYP3A4ESR1ESR2AKR1C3
SCHEMBL2815526 0.81 ESR1 (0.40) HSD17B1ESR1ESR2AKR1C3MIF
SCHEMBL14790122 0.81 KDM4E (0.45) MEN1KMT2A
SCHEMBL9364487 0.80 AKR1C3 (0.50) HSD17B1CYP3A4ESR1ESR2AKR1C3
SCHEMBL24542982 0.80 KDM4C (0.42) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL15820031 0.80 BRD4 (0.40) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL14711226 0.80 TAS1R3 (0.51) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL30940169 0.80 TAS1R3 (0.51) MEN1KMT2ATAS1R3TAS1R1TAS1R2

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 HSD17B1 162/4885NR1H4 1/4885CYP17A1 107/4885

“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.