SCHEMBL2769774

SCHEMBL2769774

COC(=O)c1c(C)oc2cc(-c3ccc(OCc4c(C(C)C)cnn4-c4c(Cl)cccc4Cl)cc3C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.49
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC26A4 O43511 1/20 0.36
ATM Q13315 1/20 0.34

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
SCHEMBL3768002 0.93 NR1H4 (0.54) NR1H4POLBMEN1KMT2ASLC26A4
SCHEMBL13379127 0.88 NR1H4 (0.49) NR1H4POLBMEN1KMT2ASLC26A4
SCHEMBL2772717 0.83 NR1H4 (0.52) NR1H4
SCHEMBL2771082 0.81 NR1H4 (0.56) NR1H4
SCHEMBL2771079 0.81 NR1H4 (0.56) NR1H4
SCHEMBL2773272 0.80 NR1H4 (0.57) NR1H4
SCHEMBL2774467 0.80 NR1H4 (0.57) NR1H4
SCHEMBL2771697 0.80 NR1H4 (0.63) NR1H4
SCHEMBL2775130 0.80 NR1H4 (0.59) NR1H4SMN1; SMN2
SCHEMBL2775129 0.80 NR1H4 (0.59) NR1H4SMN1; SMN2

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-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885MAPT 3995/4885POLB 3949/4885

“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.