SCHEMBL10321982

SCHEMBL10321982

C=CCc1ccc(-c2cc(CC=C)cc(Oc3cc(CC=C)cc(-c4ccc(CC=C)cc4)c3O)c2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.52
TNKS2 Q9H2K2 1/20 0.52
GABRA1 P14867 14/20 0.49
GABRB2 P47870 14/20 0.49
PARP1 P09874 1/20 0.49
CNR2 P34972 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
CNR1 P21554 2/20 0.49
KMT2A Q03164 2/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH2 P05091 1/20 0.49
AKR1B1 P15121 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX5 P09917 4/20 0.47

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
SCHEMBL30114989 0.79 TNKS (0.69) TNKSTNKS2GABRA1GABRB2PARP1
Obovator SCHEMBL33525039 0.78 MMP2 (0.67) TNKSTNKS2GABRA1GABRB2PARP1
Obovator SCHEMBL454929 0.78 MMP2 (0.67) TNKSTNKS2GABRA1GABRB2PARP1
Ether SCHEMBL10321981 0.77 TNKS (0.58) TNKSTNKS2GABRA1GABRB2PARP1
SCHEMBL11817910 0.75 GABRA1 (0.52) TNKSTNKS2GABRA1GABRB2PARP1
SCHEMBL20148325 0.74 GABRA1 (0.67) TNKSTNKS2GABRA1GABRB2CNR2
SCHEMBL5320878 0.73 TNKS2 (0.88) TNKSTNKS2GABRA1GABRB2PARP1
SCHEMBL29448062 0.73 TNKS2 (0.88) TNKSTNKS2GABRA1GABRB2PARP1
SCHEMBL18838060 0.73 TNKS (0.61) TNKSTNKS2GABRA1GABRB2ALDH1A1
SCHEMBL30170533 0.73 TNKS (0.74) TNKSTNKS2GABRA1GABRB2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017183864-A1 COMPOSITION FOR NOROVIRUS CULTURE AND METHOD FOR NOROVIRUS CULTURE 전남대학교산학협력단 2017-10-26 WO claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
WO-2017183864-A1 COMPOSITION FOR NOROVIRUS CULTURE AND METHOD FOR NOROVIRUS CULTURE 전남대학교산학협력단 2017-10-26 WO disclosed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 TNKS 1755/4885TNKS2 1714/4885GABRA1 480/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 TNKS 1755/4885TNKS2 1714/4885GABRA1 480/4885

“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.