SCHEMBL4150583

SCHEMBL4150583

CCOC(=O)c1cc(C2=C(c3cc(C(F)(F)F)cnc3O)CCC2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGER1 P34995 3/20 0.38
CYP2C9 P11712 3/20 0.37
JMJD6 Q6NYC1 1/20 0.37
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL13696740 0.87 CYP2C9 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13697425 0.87 PTGS2 (0.38) THRBGAAALDH1A1MAPTKDM4E
SCHEMBL4149233 0.84 PTGS2 (0.38) THRBGAAALDH1A1MAPTKDM4E
SCHEMBL4149183 0.84 PTGER1 (0.49) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL4150643 0.84 PTGER1 (0.46) THRBGAAALDH1A1KDM4ENPC1
SCHEMBL4149701 0.84 MRGPRX4 (0.39) THRBGAAALDH1A1MAPTKDM4E
SCHEMBL4162608 0.83 PTGER1 (0.44) THRBGAAALDH1A1PTGER1CYP2C9
SCHEMBL4149076 0.82 PTGER1 (0.41) THRBGAAALDH1A1MAPTKDM4E
SCHEMBL4163773 0.81 PTGER1 (0.40) THRBGAAALDH1A1MEN1KMT2A
SCHEMBL4158397 0.81 KDM4E (0.39) THRBGAAALDH1A1MAPTKDM4E

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-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B THRB 558/4885GAA 2939/4885ALDH1A1 1534/4885

“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.