SCHEMBL19124263

SCHEMBL19124263

COc1ccc(C(C)(O)C#Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 1/20 0.46
APP P05067 2/20 0.43
MAPT P10636 2/20 0.43
NR1H2 P55055 1/20 0.41
CA4 P22748 1/20 0.41
TRPA1 O75762 1/20 0.41
LTA4H P09960 1/20 0.40
AOC3 Q16853 1/20 0.40
KCNH2 Q12809 2/20 0.39
KIF11 P52732 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19148941 1.00 L3MBTL1 (0.47) L3MBTL1LMNAKMT2AMEN1NPC1
SCHEMBL523695 0.84 MAPT (0.51) KMT2ANPC1RAB9AAPPMAPT
SCHEMBL23064946 0.84 KMT2A (0.46) L3MBTL1LMNAKMT2AMEN1NPC1
SCHEMBL7586236 0.83 MEN1 (0.44) L3MBTL1LMNAKMT2AMEN1NPC1
SCHEMBL28414737 0.81 MAPT (0.46) LMNAKMT2AMEN1POLBAPP
SCHEMBL19130510 0.81 MAPT (0.46) LMNAKMT2AMEN1POLBAPP
SCHEMBL28407155 0.80 KMT2A (0.47) L3MBTL1LMNAKMT2AMEN1APP
SCHEMBL9152912 0.79 MAPT (0.46) L3MBTL1LMNAKMT2AMEN1NPC1
SCHEMBL23064942 0.79 APP (0.49) L3MBTL1LMNAKMT2AMEN1NPC1
SCHEMBL28598728 0.78 NR1H2 (0.49) L3MBTL1LMNAKMT2AMEN1NPC1

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-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines UNIVERSITY COLLEGE DUBLIN (IE) 2019-02-05 US disclosed
US-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines UNIVERSITY COLLEGE DUBLIN (IE) 2019-02-05 US disclosed
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES UNIVERSITY COLLEGE DUBLIN (IE) 2017-07-20 US 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-10196338-B2 Chiral diamine compounds for the preparation of chiral alcohols and chiral amines ADH1C, ADH1A, ADH5 L3MBTL1 4456/4885LMNA 1281/4885KMT2A 2171/4885
US-20170204036-A1 CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES ADH1C, ADH1A, ADH5 L3MBTL1 4503/4885LMNA 1688/4885KMT2A 1833/4885

“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.