SCHEMBL2385645

SCHEMBL2385645

CCNc1ccc(C(F)(F)F)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PLK1 P53350 1/20 0.41
ESRRG P62508 3/20 0.38
MCHR1 Q99705 1/20 0.37
SOAT1 P35610 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3581435 0.90 TP53 (0.41) TP53MAPTESRRGMCHR1SOAT1
SCHEMBL2386275 0.85 PLK1 (0.40) TP53MAPTL3MBTL1PLK1ESRRG
SCHEMBL3571600 0.84 LMNA (0.42) MEN1KMT2ASMN1; SMN2HDAC8HDAC6
SCHEMBL3581531 0.83 C5AR1 (0.43) ESRRGF10HSP90AA1MEN1KMT2A
SCHEMBL12520957 0.80 TP53 (0.43) TP53MAPTESRRGMCHR1F2
SCHEMBL3576208 0.78 NLRP3 (0.42) LPAR1LPAR5PPARGPPARAPPARD
SCHEMBL12520950 0.78 TP53 (0.51) TP53MAPTESRRGMCHR1HDAC3
SCHEMBL3239980 0.77 TP53 (0.39) TP53MAPTESRRGHSP90AA1HSP90AB1
SCHEMBL3587697 0.77 C5AR1 (0.41) F10HSP90AA1KMT2ALPAR1LPAR5
SCHEMBL3586617 0.77 C5AR1 (0.41) F10HSP90AA1LPAR1LPAR5

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-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP TP53 4726/4885MAPT 144/4885L3MBTL1 4807/4885

“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.