SCHEMBL2916728

SCHEMBL2916728

CC(C)(O)c1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.44
HSD17B3 P37058 7/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CYP2J2 P51589 1/20 0.42
HTR7 P34969 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL2240591 0.88 NPC1 (0.54) NPC1RAB9AHSD17B3L3MBTL1CYP2J2
SCHEMBL2918005 0.88 HDAC1 (0.46) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL2925517 0.86 NPC1 (0.45) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL548578 0.84 HSD17B3 (0.62) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL2763202 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL1502488 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL13525526 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL3673275 0.83 NPC1 (0.42) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL10471481 0.83 NPC1 (0.53) NPC1RAB9AHSD17B3L3MBTL1CYP2J2
SCHEMBL548940 0.83 HSD17B3 (0.64) HSD17B3L3MBTL1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269033-B2 Process for carbonylating phenylalkyl derivatives by means of carbon monoxide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-09-18 US disclosed
EP-1776330-B1 METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI AVENTIS DEUTSCHLAND (DE) 2010-09-01 EP disclosed
US-20100069661-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-03-18 US disclosed
US-20070161814-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-07-12 US disclosed
EP-1776330-A2 METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE Sanofi-Aventis Deutschland GmbH (DE) 2007-04-25 EP disclosed
WO-2006002762-A2 METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 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 (2 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-20070161814-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE CBR3, CBR1, CYP2E1 NPC1 811/4885RAB9A 2736/4885HSD17B3 1283/4885
US-20100069661-A1 PROCESS FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE CBR3, CBR1, CYP2E1 NPC1 811/4885RAB9A 2736/4885HSD17B3 1283/4885

“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.