SCHEMBL2771079

SCHEMBL2771079

COC(=O)/C=C/c1ccc(-c2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.56
ESR1 P03372 3/20 0.38
KCNA3 P22001 1/20 0.36
BACE1 P56817 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
SCHEMBL2771082 1.00 NR1H4 (0.56) NR1H4ESR1KCNA3BACE1
SCHEMBL2771326 0.93 NR1H4 (0.55) NR1H4ESR1KCNA3
SCHEMBL2771327 0.93 NR1H4 (0.55) NR1H4ESR1KCNA3
SCHEMBL2775129 0.92 NR1H4 (0.59) NR1H4ESR1KCNA3
SCHEMBL2770535 0.85 NR1H4 (0.62) NR1H4
SCHEMBL2770532 0.85 NR1H4 (0.62) NR1H4
SCHEMBL2771697 0.85 NR1H4 (0.63) NR1H4
SCHEMBL2773870 0.83 NR1H4 (0.55) NR1H4
SCHEMBL2772118 0.82 NR1H4 (0.54) NR1H4
SCHEMBL2769774 0.81 NR1H4 (0.49) NR1H4

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 1/4885ESR1 836/4885KCNA3 4457/4885

“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.