SCHEMBL7644385

SCHEMBL7644385

O=C(O)c1ccc(CCS)s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.50
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
PRNP P04156 1/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
LIG1 P18858 1/20 0.41
PLAU P00749 1/20 0.41
FOLH1 Q04609 1/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
FOLR1 P15328 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 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
SCHEMBL774287 0.89 MEN1 (0.46) DAOALDH1A1POLBTDP1KMT2A
SCHEMBL7612745 0.82 LMNA (0.49) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6894878 0.82 DAO (0.47) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL2409099 0.80 ALDH1A1 (0.47) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL14942670 0.80 DAO (0.46) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL262537 0.80 DAO (0.50) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL15521803 0.80 DAO (0.45) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL8794696 0.80 DAO (0.50) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL775357 0.79 ALDH1A1 (0.44) DAOALDH1A1LMNAPRNPRECQL
Hydrochloric Acid SCHEMBL2414493 0.78 ALDH1A1 (0.46) DAOALDH1A1LMNAPRNPRECQL

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
US-9006469-B2 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2015-04-14 US disclosed
US-20140031524-A1 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2014-01-30 US disclosed
US-8426618-B2 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2013-04-23 US disclosed
US-20120123109-A1 Luminescence quenching compounds ANASPEC INCORPORATED (US) 2012-05-17 US disclosed
US-8093411-B2 Cyanine dyes and their applications as luminescence quenching compounds ANASPEC INCORPORATED (US) 2012-01-10 US disclosed
US-7910753-B2 Cyanine dyes and their applications as luminescence quenching compounds ANASPEC INCORPORATED (US) 2011-03-22 US disclosed
US-20100331543-A1 Cyanine dyes and their applications as luminescence quenching compounds DIWU ZHENJUN 2010-12-30 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 (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-20100331543-A1 Cyanine dyes and their applications as luminescence quenching compounds TYR, ABCG2, CYBA DAO 889/4885ALDH1A1 1010/4885LMNA 2686/4885
US-20120123109-A1 Luminescence quenching compounds ABCG2, TYR, GFPT1 DAO 1284/4885ALDH1A1 430/4885LMNA 2631/4885
US-20140031524-A1 Luminescence quenching compounds ABCG2, TYR, GFPT1 DAO 1284/4885ALDH1A1 430/4885LMNA 2631/4885

“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.