SCHEMBL3907413

SCHEMBL3907413

CCOC(=O)C(C)(C)Oc1ccc(CCc2cc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.46
PPARD Q03181 7/20 0.46
PPARG P37231 7/20 0.46
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
FBP1 P09467 3/20 0.40
FFAR1 O14842 1/20 0.39
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 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
SCHEMBL3904197 0.89 PPARA (0.58) PPARAPPARDPPARGTSHRKDM4E
SCHEMBL13791342 0.85 PPARA (0.41) PPARAPPARDPPARGFFAR1PTGER4
SCHEMBL3906335 0.81 FBP1 (0.49) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL3907336 0.81 FBP1 (0.49) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL3906338 0.81 FBP1 (0.49) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL5861777 0.80 PPARD (0.50) PPARAPPARDPPARGFBP1PTGER4
SCHEMBL3904783 0.79 PPARD (0.48) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL7977777 0.78 PPARA (0.68) PPARAPPARDPPARGABCB11CYP1A2
SCHEMBL3906526 0.78 PPARA (0.55) PPARAPPARDPPARGPTGER4
SCHEMBL13791451 0.78 PPARD (0.50) PPARAPPARDPPARGABCB11CYP1A2

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 PPARA 294/4885PPARD 214/4885PPARG 215/4885

“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.