SCHEMBL4639752

SCHEMBL4639752

Nc1cccc(OCc2ccccc2-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
PTGER1 P34995 1/20 0.53
PTGER4 P35408 1/20 0.53
PTGER3 P43115 1/20 0.53
PTGER2 P43116 1/20 0.53
APP P05067 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
FFAR1 O14842 4/20 0.48
FFAR4 Q5NUL3 3/20 0.48
CD274 Q9NZQ7 5/20 0.46
DPP4 P27487 1/20 0.44
CFD P00746 1/20 0.44
MCL1 Q07820 1/20 0.44
MAOA P21397 1/20 0.43
TSHR P16473 1/20 0.43
PLAT P00750 1/20 0.43

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
SCHEMBL27718811 0.83 FFAR1 (0.62) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL31172132 0.79 MAOB (0.62) MAOBAPPTP53CYP3A4CFD
SCHEMBL28615363 0.79 MAOB (0.62) MAOBAPPTP53CYP3A4CFD
SCHEMBL4639750 0.79 PTGER1 (0.57) MAOBPTGER1PTGER4PTGER3PTGER2
SCHEMBL6238855 0.78 NR4A2 (0.68) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL4638867 0.78 MAOB (0.60) MAOBAPPTP53CYP3A4MAOA
SCHEMBL31172168 0.78 MAOB (0.60) MAOBAPPTP53CYP3A4TSHR
SCHEMBL4638503 0.78 MAOB (0.60) MAOBAPPTP53CYP3A4TSHR
SCHEMBL31172141 0.78 MAOB (0.60) MAOBAPPTP53CYP3A4FFAR1
SCHEMBL4639885 0.78 MAOB (0.60) MAOBAPPTP53CYP3A4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885PTGER1 82/4885PTGER4 201/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885PTGER1 82/4885PTGER4 201/4885

“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.