SCHEMBL497796

SCHEMBL497796

CCOC(=O)C(C(=O)C(F)(F)F)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
CES2 O00748 5/20 0.46
CES1 P23141 5/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PIN1 Q13526 1/20 0.39

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
SCHEMBL23112580 0.89 KDM4E (0.47) ACHECES2CES1KDM4EMEN1
SCHEMBL9567088 0.86 MEN1 (0.51) KDM4EMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL10322782 0.81 KMT2A (0.47) KDM4EMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL20787058 0.81 KDM4E (0.42) ACHECES2CES1KDM4EMEN1
SCHEMBL5077504 0.81 CES1 (0.43) CES1KDM4EMEN1KMT2ANPSR1
SCHEMBL6061145 0.80 KDM4E (0.38) ACHECES2CES1KDM4EMEN1
SCHEMBL6061485 0.80 KDM4E (0.41) ACHECES2CES1KDM4EMEN1
SCHEMBL23112434 0.79 POLB (0.43) KDM4EMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2891142 0.78 KDM4E (0.47) ACHECES2CES1KDM4EMEN1
SCHEMBL5578230 0.78 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2NPSR1ATM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
US-7378474-B2 Olefin polymerization catalyst KANEKA CORPORATION (JP) 2008-05-27 US disclosed
US-7378474-B2 Olefin polymerization catalyst KANEKA CORPORATION (JP) 2008-05-27 US disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
US-20070244261-A1 Polyolefin Graft Copolymer, Composition and Method for Producing Same KANEKA CORPORATION (JP) 2007-10-18 US disclosed
US-20070244261-A1 Polyolefin Graft Copolymer, Composition and Method for Producing Same KANEKA CORPORATION (JP) 2007-10-18 US disclosed
US-20070167316-A1 Olefin polymerization catalyst KANEKA CORPORATION 2007-07-19 US disclosed
US-20070167316-A1 Olefin polymerization catalyst KANEKA CORPORATION 2007-07-19 US disclosed
EP-1762579-A1 POLYOLEFIN GRAFT COPOLYMER, COMPOSITION AND METHOD FOR PRODUCING SAME Kaneka Corporation (JP) 2007-03-14 EP 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 ACHE 4221/4885CES2 370/4885CES1 30/4885

“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.