SCHEMBL1095771

SCHEMBL1095771

COC(=O)c1cn(C)c2cc(C3CCC(O)CC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.52
BRD4 O60885 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TPSAB1 Q15661 1/20 0.41
PRPS1 P60891 2/20 0.40
RAB9A P51151 1/20 0.38

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
SCHEMBL1096569 1.00 NR4A2 (0.52) NR4A2BRD4MEN1KMT2AALDH1A1
SCHEMBL22790044 0.87 NR4A2 (0.51) NR4A2BRD4MEN1KMT2AALDH1A1
SCHEMBL19202571 0.84 NR4A2 (0.53) NR4A2BRD4MEN1KMT2AALDH1A1
SCHEMBL22790043 0.82 SCN9A (0.52) NR4A2KMT2AALDH1A1KDM4EMAPT
SCHEMBL22790300 0.81 NR4A2 (0.47) NR4A2BRD4MEN1KMT2AALDH1A1
SCHEMBL15167291 0.80 ACMSD (0.44) MEN1KMT2ALMNATPSAB1RAB9A
SCHEMBL1096244 0.80 NR4A2 (0.51) NR4A2BRD4MEN1KMT2AALDH1A1
SCHEMBL27783759 0.78 QDPR (0.38) TPSAB1
SCHEMBL31135569 0.77 PDE4B (0.45) KDM4E
SCHEMBL26101352 0.77 PDE4B (0.45) KDM4E

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-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 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-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR4A2 570/4885BRD4 1511/4885MEN1 3998/4885

“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.