SCHEMBL3202067

SCHEMBL3202067

CC(=O)C#Cc1ccc2cc(N(C)C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.43
TERT O14746 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ACACB O00763 2/20 0.37
SLC16A3 O15427 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
NSD2 O96028 1/20 0.34
SNCA P37840 2/20 0.33

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
SCHEMBL13486859 0.81 MAPT (0.47) APPNPC1RAB9ARXFP1ACACB
SCHEMBL13487239 0.77 ALDH1A1 (0.39) APPACACBMAPTALDH1A1
SCHEMBL3490748 0.75 TERT (0.45) APPTERTNPC1RAB9ARXFP1
SCHEMBL13486851 0.75 APP (0.48) APPNPC1RAB9ARXFP1ACACB
SCHEMBL15112995 0.75 ALDH1A1 (0.48) APPTERTNPC1RAB9ARXFP1
SCHEMBL3216361 0.74 APP (0.38) APPTERTNPC1RAB9ARXFP1
SCHEMBL13486808 0.73 APP (0.40) APPTERTNPC1RAB9ARXFP1
SCHEMBL3206051 0.73 APP (0.44) APPTERTNPC1RAB9ARXFP1
SCHEMBL15114983 0.73 NPC1 (0.40) APPTERTNPC1RAB9ARXFP1
SCHEMBL13486860 0.72 UGT2B7 (0.41) APPTERTNPC1RAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
US-20100048604-A1 Ligands for Aldoketoreductases TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2010-02-25 US disclosed
WO-2006023821-A2 LIGANDS FOR ALDOKETOREDUCTASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-03-02 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-20100048604-A1 Ligands for Aldoketoreductases AKR1C2, AKR1C1, AKR1B1 APP 3894/4885TERT 3087/4885NPC1 539/4885

“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.