SCHEMBL765954

SCHEMBL765954

CCc1ccc(OCCCCC(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
LTA4H P09960 4/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PDE4A P27815 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL13104320 0.98 LMNA (0.53) LMNALTA4HALDH1A1MAPTSMN1; SMN2
SCHEMBL10202996 0.95 LMNA (0.59) LMNALTA4HALDH1A1MAPTSMN1; SMN2
SCHEMBL10175532 0.90 LMNA (0.54) LMNALTA4HALDH1A1MAPTSMN1; SMN2
SCHEMBL4275826 0.88 HDAC1 (0.56) LMNALTA4HALDH1A1MAPTKMT2A
SCHEMBL14162907 0.88 ALDH1A1 (0.58) LMNALTA4HALDH1A1SMN1; SMN2KMT2A
SCHEMBL4843860 0.86 LTA4H (0.52) LMNALTA4HALDH1A1MAPTKMT2A
SCHEMBL4275916 0.86 LTA4H (0.52) LMNALTA4HALDH1A1SMN1; SMN2KDM4E
SCHEMBL25176144 0.85 PLA2G4A (0.53) LMNAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3468511 0.84 PLA2G4B (0.58) LMNALTA4HALDH1A1SMN1; SMN2POLB
SCHEMBL8080186 0.84 LTA4H (0.58) LMNALTA4HALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (3 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885LTA4H 1274/4885ALDH1A1 2353/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LMNA 170/4885LTA4H 1274/4885ALDH1A1 2353/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 LMNA 105/4885LTA4H 1769/4885ALDH1A1 2112/4885

“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.