SCHEMBL3906708

SCHEMBL3906708

Cc1cc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.64
PPARA Q07869 14/20 0.64
PPARG P37231 7/20 0.64
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL13791451 0.89 PPARD (0.50) PPARDPPARAPPARGTSHR
SCHEMBL3907309 0.86 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL3912618 0.85 PPARA (0.64) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL3907372 0.82 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL3913440 0.81 PPARD (0.50) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL3905477 0.80 PPARD (0.52) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL13790898 0.80 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL5860624 0.80 PPARD (0.72) PPARDPPARAPPARG
SCHEMBL3902951 0.79 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL3904594 0.79 PPARA (0.53) PPARDPPARAPPARGKDM4EMEN1

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 4 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-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 PPARD 214/4885PPARA 294/4885PPARG 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.