SCHEMBL2813670

SCHEMBL2813670

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)COc1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.57
MRGPRX4 Q96LA9 1/20 0.35
PPARG P37231 1/20 0.34
ALKBH1 Q13686 1/20 0.34
PDE5A O76074 1/20 0.34
MAPK14 Q16539 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2773667 0.93 NR1H4 (0.56) NR1H4MRGPRX4
SCHEMBL2772071 0.92 NR1H4 (0.56) NR1H4MRGPRX4
SCHEMBL2770526 0.91 NR1H4 (0.57) NR1H4MRGPRX4
SCHEMBL2770587 0.91 NR1H4 (0.55) NR1H4MRGPRX4
SCHEMBL2772411 0.88 NR1H4 (0.61) NR1H4MRGPRX4
SCHEMBL2771757 0.87 NR1H4 (0.65) NR1H4MRGPRX4PPARG
SCHEMBL2771389 0.87 NR1H4 (0.54) NR1H4MRGPRX4PPARGMAPK14
SCHEMBL2770222 0.83 NR1H4 (0.56) NR1H4MRGPRX4KMT2A
SCHEMBL2771111 0.82 NR1H4 (0.58) NR1H4MRGPRX4KMT2A
SCHEMBL2787707 0.82 NR1H4 (0.59) NR1H4MRGPRX4KMT2A

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 8 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
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
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
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US 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 1/4885MRGPRX4 247/4885PPARG 19/4885

“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.