SCHEMBL17429445

SCHEMBL17429445

COc1cc2c(C(=O)O)cn(C(=O)OC(C)(C)C)c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
HTR6 P50406 1/20 0.36
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MYC P01106 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
PDE10A Q9Y233 1/20 0.32
NSD2 O96028 1/20 0.32
GPR35 Q9HC97 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL17429443 0.91 LCK (0.39) L3MBTL1HTR6ALDH1A1KDM4EHPGD
SCHEMBL17429740 0.81 PDE3B (0.38) L3MBTL1EHMT2NSD2
SCHEMBL29122828 0.80 L3MBTL1 (0.41) L3MBTL1HTR6BRD4KDM4EEHMT2
SCHEMBL17417658 0.79 SRD5A1 (0.50) HPGDTLR9
SCHEMBL31555881 0.79 KDM4E (0.48) L3MBTL1HTR6ALDH1A1KDM4EHPGD
SCHEMBL17429444 0.78 L3MBTL1 (0.35) L3MBTL1HTR6ALDH1A1KDM4EHPGD
SCHEMBL1846302 0.75 HTR6 (0.46) L3MBTL1HTR6MYCMEN1KMT2A
SCHEMBL29754156 0.75 HTR6 (0.46) L3MBTL1HTR6MYCMEN1KMT2A
SCHEMBL28799036 0.74 HTR6 (0.45) L3MBTL1HTR6ALDH1A1HPGDMYC
SCHEMBL31370601 0.74 MTNR1A (0.41) L3MBTL1HTR6ALDH1A1MEN1KMT2A

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-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 US disclosed
US-9434724-B2 Quinuclidines for modulating alpha 7 activity ALPHARMAGEN, LLC (US) 2016-09-06 US disclosed
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY ALPHARMAGEN, LLC 2016-01-14 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-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 L3MBTL1 3641/4885HTR6 182/4885BRD4 736/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 L3MBTL1 3894/4885HTR6 154/4885BRD4 900/4885

“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.