SCHEMBL6312804

SCHEMBL6312804

O=C(C#Cc1ccccc1)CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 3/20 0.48
TRPA1 O75762 1/20 0.48
MAPK1 P28482 1/20 0.48
GSK3B P49841 1/20 0.48
HIF1A Q16665 1/20 0.48
VCP P55072 1/20 0.46
FFAR1 O14842 6/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HSP90AA1 P07900 2/20 0.44
AGTR1 P30556 1/20 0.44
PAX8 Q06710 1/20 0.44
TLR9 Q9NR96 1/20 0.44
PAM P19021 1/20 0.44
APP P05067 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 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
SCHEMBL7125844 0.83 NPSR1 (0.53) NPSR1ALDH1A1VCPFFAR1NPC1
SCHEMBL16803426 0.83 NPSR1 (0.53) NPSR1ALDH1A1MAPK1VCPFFAR1
SCHEMBL2123773 0.79 NPSR1 (0.55) NPSR1VCPFFAR1NPC1RAB9A
SCHEMBL16803357 0.79 FFAR1 (0.52) NPSR1ALDH1A1VCPFFAR1NPC1
SCHEMBL16803423 0.79 NPSR1 (0.50) NPSR1ALDH1A1VCPFFAR1NPC1
SCHEMBL5618885 0.78 FFAR1 (0.55) NPSR1ALDH1A1HIF1AVCPFFAR1
SCHEMBL28479005 0.78 FFAR1 (0.58) NPSR1VCPFFAR1NPC1RAB9A
SCHEMBL16803356 0.78 PAM (0.52) NPSR1ALDH1A1VCPFFAR1NPC1
SCHEMBL996772 0.76 NPSR1 (0.52) NPSR1VCPFFAR1NPC1RAB9A
SCHEMBL14969612 0.76 NPC1 (0.54) NPSR1VCPFFAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
US-6956049-B1 Methods of modulating processes mediated by excitatory amino acid receptors MERCK & CO., INC. (US) 2005-10-18 US disclosed
EP-1214303-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001016121-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2001-03-08 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 NPSR1 2553/4885ALDH1A1 277/4885TRPA1 2140/4885

“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.