SCHEMBL2772049

SCHEMBL2772049

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.62
NPBWR1 P48145 3/20 0.35
MCHR1 Q99705 3/20 0.35
CCNK O75909 1/20 0.33
CCND3 P30281 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 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
SCHEMBL2770783 0.88 NR1H4 (0.60) NR1H4NPBWR1MCHR1
SCHEMBL2770779 0.88 NR1H4 (0.60) NR1H4NPBWR1MCHR1
SCHEMBL2771482 0.87 NR1H4 (0.57) NR1H4NPBWR1MCHR1KDM4EMAPK14
SCHEMBL2787144 0.87 NR1H4 (0.56) NR1H4NPBWR1MCHR1MAPK14
SCHEMBL2770569 0.85 NR1H4 (0.56) NR1H4NPBWR1MCHR1NPC1MAPT
SCHEMBL2771111 0.85 NR1H4 (0.58) NR1H4NPBWR1MCHR1KDM4ESMN1; SMN2
SCHEMBL2770298 0.85 NR1H4 (0.56) NR1H4NPBWR1MCHR1CCNKCCND3
SCHEMBL2771879 0.84 NR1H4 (0.51) NR1H4CCNKCCND3GSK3BCDK7
SCHEMBL2770795 0.83 NR1H4 (0.59) NR1H4MAPT
SCHEMBL2773824 0.83 NR1H4 (0.56) NR1H4NPBWR1MCHR1CCNKCCND3

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 1/4885NPBWR1 348/4885MCHR1 1417/4885

“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.