SCHEMBL17429435

SCHEMBL17429435

CCOc1ccc2[nH]cc(C(=O)O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
PRKAB2 O43741 1/20 0.63
PRKAG1 P54619 1/20 0.63
PRKAA2 P54646 1/20 0.63
PRKAA1 Q13131 1/20 0.63
PRKAG3 Q9UGI9 1/20 0.63
PRKAG2 Q9UGJ0 1/20 0.63
PRKAB1 Q9Y478 1/20 0.63
POLB P06746 1/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL2010976 0.92 HTT (0.81) HTTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4776415 0.88 PRKAB2 (0.63) HTTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21547894 0.86 KDM4E (0.53) HTTPRKAB2PRKAG1PRKAA2PRKAA1
Ether SCHEMBL2866770 0.84 KMT2A (0.67) HTTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL592889 0.83 NR4A2 (0.77) HTTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6204275 0.82 HTT (0.64) HTTPOLBMEN1KMT2AKDM4E
SCHEMBL591519 0.81 HTT (0.56) HTTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15747755 0.81 KDM4E (0.75) HTTPOLBMEN1KMT2AKDM4E
SCHEMBL592373 0.80 HTT (0.55) HTTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL591695 0.80 ALDH1A1 (0.58) HTTPRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
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 (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-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 HTT 968/4885PRKAB2 3940/4885PRKAG1 3731/4885
US-20160009706-A1 QUINUCLIDINES FOR MODULATING ALPHA 7 ACTIVITY CHRNA7, CHRNA2, CHRNA5 HTT 640/4885PRKAB2 666/4885PRKAG1 502/4885
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 HTT 711/4885PRKAB2 961/4885PRKAG1 729/4885

“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.