SCHEMBL4181752

SCHEMBL4181752

COc1ccc(C(C)C)cc1-c1cccc(C(F)(F)F)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
CETP P11597 15/20 0.44
ERN1 O75460 1/20 0.43
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NR1I2 O75469 1/20 0.39
CASR P41180 2/20 0.39

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
SCHEMBL131914 0.79 ERN1 (0.41) AKR1C3AKR1C2CETPERN1NR1I2
SCHEMBL132467 0.74 CETP (0.53) CETPNR1I2CASR
SCHEMBL4540699 0.74 MAOB (0.48) ERN1
SCHEMBL8940819 0.73 HDAC4 (0.50) CETPERN1HDAC4HDAC8CASR
SCHEMBL2662354 0.72 AKR1C3 (0.46) AKR1C3AKR1C2CETPHDAC4HDAC8
SCHEMBL31058019 0.72 ERN1 (0.47) AKR1C3AKR1C2ERN1HDAC4HDAC8
SCHEMBL132850 0.72 CETP (0.43) AKR1C3AKR1C2CETPNR1I2CASR
SCHEMBL130261 0.72 CETP (0.41) AKR1C3AKR1C2CETPNR1I2CASR
SCHEMBL29786750 0.71 CETP (0.49) AKR1C3AKR1C2CETPNR1I2
SCHEMBL16697835 0.71 ALDH1A1 (0.50) AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES APOB, LDLR, CETP AKR1C3 3225/4885AKR1C2 2704/4885CETP 3/4885

“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.