SCHEMBL3906335

SCHEMBL3906335

CCOC(=O)C(C)(C)Oc1ccc(/C=C\c2cc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.49
PPARA Q07869 4/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
MAOB P27338 2/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3907336 1.00 FBP1 (0.49) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3906338 1.00 FBP1 (0.49) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL3905164 0.88 PPARA (0.50) PPARATSHRCYP1A1CYP1B1MAOB
SCHEMBL3906952 0.88 PPARA (0.50) PPARATSHRCYP1A1CYP1B1MAOB
SCHEMBL3905168 0.88 PPARA (0.50) PPARATSHRCYP1A1CYP1B1MAOB
SCHEMBL13791404 0.83 NFE2L2 (0.41) PPARACYP1A1CYP1B1MAOB
SCHEMBL13791387 0.83 NFE2L2 (0.41) PPARACYP1A1CYP1B1MAOB
SCHEMBL3907413 0.81 PPARA (0.46) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL7977777 0.78 PPARA (0.68) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL13791451 0.78 PPARD (0.50) FBP1PPARAABCB11CYP1A2CYP3A4

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 FBP1 1584/4885PPARA 294/4885ABCB11 1656/4885

“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.