SCHEMBL3079498

SCHEMBL3079498

COc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(C(F)(F)F)cc2F)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.59
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SCD O00767 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL758833 0.90 CETP (0.63) CETPPPARDPPARA
SCHEMBL759478 0.86 CETP (0.63) CETPPPARDPPARA
SCHEMBL759533 0.85 CETP (0.64) CETPPPARDPPARA
SCHEMBL761799 0.85 CETP (0.64) CETPPPARDPPARA
SCHEMBL760313 0.82 CETP (0.65) CETPMRGPRX4
SCHEMBL3083262 0.82 CETP (0.61) CETP
SCHEMBL757170 0.82 CETP (0.80) CETP
SCHEMBL3072681 0.81 CETP (0.56) CETPPPARDPPARA
SCHEMBL12869617 0.81 CETP (0.79) CETP
SCHEMBL14455634 0.80 CETP (0.72) CETP

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-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885PPARD 897/4885PPARA 827/4885

“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.