SCHEMBL3904657

SCHEMBL3904657

CCOC(=O)C(C)(C)Oc1ccc(O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.52
PPARA Q07869 2/20 0.48
CYP1A2 P05177 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
PPARG P37231 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1417534 0.87 FBP1 (0.62) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL21188250 0.87 FBP1 (0.53) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL1549824 0.85 FBP1 (0.58) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL2824290 0.84 PPARA (0.61) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL12860025 0.84 FBP1 (0.51) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL3905611 0.83 PPARA (0.52) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL1549946 0.83 PPARA (0.48) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL3585865 0.83 FBP1 (0.60) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL1550089 0.82 PPARA (0.50) FBP1PPARACYP1A2ABCB11CYP3A4
SCHEMBL5476491 0.82 FBP1 (0.53) FBP1PPARACYP1A2ABCB11CYP3A4

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-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
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 FBP1 1584/4885PPARA 294/4885CYP1A2 135/4885

“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.