SCHEMBL3908417

SCHEMBL3908417

CCOC(=O)CCc1cc(-c2ccc(C(F)(F)F)cc2)oc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 2/20 0.39
BRCA1 P38398 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
TRPM2 O94759 1/20 0.39
MLYCD O95822 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERAP1 Q9NZ08 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL5860739 0.90 FFAR1 (0.43) FFAR1PPARGPPARACYP4F2CYP4A11
SCHEMBL3901319 0.89 FFAR1 (0.42) FFAR1PPARGPPARACYP4F2CYP4A11
SCHEMBL3904599 0.87 FFAR1 (0.41) FFAR1PPARGPPARACYP4F2CYP4A11
SCHEMBL3903319 0.86 ALDH1A1 (0.39) FFAR1PPARGPPARAEPHX2ALDH1A1
SCHEMBL3906087 0.85 FFAR1 (0.58) FFAR1PPARGPPARAALDH1A1KDM4E
SCHEMBL3911332 0.84 FFAR1 (0.37) FFAR1PPARGPPARAALDH1A1BRCA1
SCHEMBL13791045 0.81 CYP1A1 (0.40) FFAR1PPARGPPARACYP4F2CYP4A11
SCHEMBL13790892 0.81 PPARD (0.38) FFAR1PPARGPPARAMAPTKDM4E
SCHEMBL3903337 0.81 FFAR1 (0.53) FFAR1PPARGPPARAEPHX2ALDH1A1
SCHEMBL3903459 0.80 PPARG (0.35) FFAR1PPARGPPARAALDH1A1BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 FFAR1 145/4885PPARG 215/4885PPARA 294/4885

“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.