SCHEMBL3201833

SCHEMBL3201833

O=C1CCCc2cc3c(nc21)C(=O)CCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CYP2A6 P11509 1/20 0.40
PRKCI P41743 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSD17B1 P14061 1/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35

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
SCHEMBL528472 0.86 GAA (0.42) KMT2AMEN1MAPK1NPSR1MAOA
SCHEMBL3199887 0.85 PBRM1 (0.35) HSD17B1ALDH1A1HSD17B10
SCHEMBL31121556 0.84 GAA (0.41) KMT2AMEN1MAPK1NPSR1MAOA
SCHEMBL10286474 0.80 KDM4E (0.33) KMT2AMEN1MAPK1NPSR1MAOA
SCHEMBL7262272 0.78 ALDH1A1 (0.59) KMT2AMEN1MAPK1MAOBL3MBTL1
SCHEMBL7262274 0.78 ALDH1A1 (0.59) KMT2AMEN1MAPK1MAOBL3MBTL1
SCHEMBL10286576 0.77 MEN1 (0.33) KMT2AMEN1MAPK1NPSR1MAOA
SCHEMBL10286597 0.77 ALDH1A1 (0.34) KMT2AMEN1MAPK1NPSR1MAOA
SCHEMBL10286478 0.77 MAOA (0.39) KMT2AMEN1MAPK1NPSR1MAOA
SCHEMBL10286537 0.77 OPRM1 (0.37) KMT2AMEN1MAPK1NPSR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168249-B1 Luminescent polydentate polycyclic compounds for metal ions ZAVALETA FERNANDEZ DE CORDOVA ANDRES (US) 2021-11-09 US disclosed
US-10633586-B1 Luminescent polydentate polycyclic compounds for metal ions ZAVALETA FERNANDEZ DE CORDOVA ANDRES (US) 2020-04-28 US disclosed
US-9823199-B1 Luminescent polydentate polycyclic compounds for metal ions Zavaleta Fernandez de Cordova, Andres Nildo (US) 2017-11-21 US disclosed
US-20140073619-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2014-03-13 US disclosed
US-20140073619-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2014-03-13 US disclosed
US-20120135973-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-05-31 US disclosed
US-20120135973-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-05-31 US disclosed
WO-2012033916-A1 METHOD FOR TREATING CHRONIC PAIN SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2012-03-15 WO disclosed
EP-1773895-B1 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION DU PONT (US) 2011-12-28 EP disclosed
US-7683149-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2008-11-20 US disclosed
US-7442819-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-28 US disclosed
EP-1773895-A2 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION E.I.Du pont de nemours and company (US) 2007-04-18 EP disclosed
WO-2006010065-A2 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-01-26 WO disclosed
US-20060009597-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2006-01-12 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 (6 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-20120135973-A1 METHOD FOR TREATING CHRONIC PAIN OPRK1, TRPV1, OPRM1 KMT2A 2693/4885MEN1 4351/4885MAPK1 4496/4885
US-11168249-B1 Luminescent polydentate polycyclic compounds for metal ions PCBP1, CACYBP, CA9 KMT2A 2733/4885MEN1 388/4885MAPK1 2540/4885
US-20060009597-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 KMT2A 3329/4885MEN1 1011/4885MAPK1 2840/4885
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 KMT2A 3329/4885MEN1 1011/4885MAPK1 2840/4885
US-20140073619-A1 METHOD FOR TREATING CHRONIC PAIN OPRK1, TRPV1, OPRM1 KMT2A 2693/4885MEN1 4351/4885MAPK1 4496/4885
US-10633586-B1 Luminescent polydentate polycyclic compounds for metal ions PCBP1, CACYBP, CA9 KMT2A 2733/4885MEN1 388/4885MAPK1 2540/4885

“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.