SCHEMBL198729

SCHEMBL198729

CCOC(=O)C(C)(C)Oc1ccc(OCC(c2c(F)c(F)cc3[nH]c(-c4ccc(Cl)cc4)nc23)C2CCCCC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
DGAT1 O75907 10/20 0.35
KCNH2 Q12809 8/20 0.35
SOAT1 P35610 6/20 0.35
CNR1 P21554 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
FBP1 P09467 1/20 0.33
DHODH Q02127 1/20 0.32
LMNA P02545 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL198479 0.92 DGAT1 (0.39) PPARACYP1A2CYP3A4DGAT1KCNH2
SCHEMBL200870 0.90 PPARA (0.38) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL198732 0.90 PPARA (0.37) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL198387 0.85 PDE5A (0.38) PPARACYP1A2CYP3A4KCNH2DHODH
SCHEMBL198482 0.81 DGAT1 (0.39) PPARACYP1A2CYP3A4DGAT1KCNH2
SCHEMBL200873 0.80 CYP3A4 (0.38) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL198627 0.80 CHEK2 (0.43) CYP3A4DGAT1KCNH2SOAT1DHODH
SCHEMBL197152 0.76 NR1H4 (0.49) CYP3A4KCNH2
SCHEMBL198390 0.74 KCNH2 (0.38) PPARACYP1A2CYP3A4KCNH2
SCHEMBL198730 0.74 PPARA (0.41) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088930-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 US 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-20100063101-A1 NEW BENZIMIDAZOLE DERIVATIVES CYP3A7, ECI1, CYP2B6 PPARA 322/4885ABCB11 43/4885CYP1A2 54/4885

“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.