SCHEMBL3513426

SCHEMBL3513426

Cc1cc(CCC(=O)c2ccc(OC(F)(F)F)cc2)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BCL2L1 Q07817 1/20 0.46
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL1934851 0.84 NPC1 (0.44) NPC1RAB9ABCL2L1HDAC3HDAC4
SCHEMBL1935430 0.83 PPARA (0.55)
SCHEMBL3512485 0.82 PPARD (0.45) NPC1RAB9AHRH3MMP2MMP9
SCHEMBL1935077 0.81 PPARG (0.44) NPC1RAB9AHRH3EPHX2
SCHEMBL1934559 0.81 PPARD (0.43) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL3513128 0.79 PPARA (0.55)
SCHEMBL2153233 0.79 PPARA (0.45) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL1934438 0.79 FFAR4 (0.45) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL7193777 0.77 NPC1 (0.51) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL28012694 0.76 NPC1 (0.59) NPC1RAB9AEPHX2GRIN2BFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046716-B1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF GENFIT (FR) 2013-08-14 EP disclosed
US-8188148-B2 Substituted 1,3-diphenylpropane derivatives, preparations and uses thereof GENFIT (FR) 2012-05-29 US disclosed
US-20100286276-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof GENFIT (FR) 2010-11-11 US disclosed
EP-2046716-A1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF Genfit (FR) 2009-04-15 EP disclosed
WO-2007147880-A1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF GENFIT (FR) 2007-12-27 WO 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-20100286276-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof DPP3, DPP8, DPP4 NPC1 90/4885RAB9A 2872/4885BCL2L1 1760/4885

“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.