SCHEMBL973230

SCHEMBL973230

Nn1c(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 2/20 0.40
PCSK9 Q8NBP7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
APP P05067 1/20 0.38
PKM P14618 1/20 0.37
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36

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
SCHEMBL2292025 0.83 KMT2A (0.46) KMT2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6951232 0.72 CYP2A6 (0.61) ALDH1A1KDM4EMAPTCYP3A4CYP1A2
SCHEMBL16193326 0.71 ALDH1A1 (0.44) KMT2AL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL822673 0.71 PCSK9 (0.68) KMT2AALDH1A1KDM4EMAPTXBP1
SCHEMBL11310071 0.69 MAPT (0.52) KMT2AL3MBTL1ALDH1A1KDM4EMAPT
Biphenyl SCHEMBL2574161 0.66 ALDH1A1 (0.82) ALDH1A1MAPK1CYP3A4CYP1A2TAAR1
Biphenyl SCHEMBL2548048 0.65 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1CYP3A4CYP1A2
Biphenyl SCHEMBL1358618 0.65 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1CYP3A4CYP1A2
Biphenyl SCHEMBL164 0.65 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1CYP3A4CYP1A2
Biphenyl SCHEMBL4002609 0.65 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1CYP3A4CYP1A2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998895-B2 Catalysts for olefin polymerization E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-16 US disclosed
US-7868108-B2 Transition metal compound, ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2011-01-11 US disclosed
US-7868108-B2 Transition metal compound, ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2011-01-11 US disclosed
US-7868108-B2 Transition metal compound, ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2011-01-11 US disclosed
US-20100222531-A1 CATALYSTS FOR OLEFIN POLYMERIZATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-02 US disclosed
US-20100029469-A1 CATALYSTS FOR OLEFIN POLYMERIZATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-04 US disclosed
US-20090156768-A1 Transition Metal Compound, Ligand System, Catalyst System and Process for Preparing Polyolefins BASELL POLYOLEFINE GMB H (DE) 2009-06-18 US disclosed
US-20090156768-A1 Transition Metal Compound, Ligand System, Catalyst System and Process for Preparing Polyolefins BASELL POLYOLEFINE GMB H (DE) 2009-06-18 US disclosed
US-20090156768-A1 Transition Metal Compound, Ligand System, Catalyst System and Process for Preparing Polyolefins BASELL POLYOLEFINE GMB H (DE) 2009-06-18 US disclosed
US-7439314-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-21 US disclosed
EP-1192189-B1 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEM CO (US) 2004-09-29 EP disclosed
US-20030225228-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors EASTMAN CHEMICAL COMPANY 2003-12-04 US disclosed
US-20030195110-A1 Catalysts containing N-pyrrolyl substituted nitrogen donors E. I. DU PONT DE NEMOURS AND COMPANY 2003-10-16 US disclosed
US-6559091-B1 Metal complex ligated by a monodentate, bidentate, tridentate, or tetradentate ligand, wherein at least one of the donor atoms of the ligand is a nitrogen atom substituted by a 1-pyrrolyl or substituted 1- pyrrolyl group EASTMAN CHEMICAL COMPANY 2003-05-06 US disclosed
US-6545108-B1 Ti, Zr, Hf, Cr, Mo, W, V, Nb, or Ta complex of a monodentate dianionic ligand in which a nitrogen atom is substituted by a 1-pyrrolyl and the remaining donor atoms are N, P, As, O, S, or Se EASTMAN CHEMICAL COMPANY 2003-04-08 US disclosed
EP-1278784-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2003-01-29 EP disclosed
EP-1192189-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2002-04-03 EP disclosed
US-20020032289-A1 Catalysts for olefin polymerization E.I. DU PONT DE NEMOURS AND COMPANY 2002-03-14 US disclosed
WO-2001083571-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2001-11-08 WO disclosed
WO-2000050470-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2000-08-31 WO 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-20100222531-A1 CATALYSTS FOR OLEFIN POLYMERIZATION PORCN, PUF60, CAD KMT2A 4665/4885L3MBTL1 2478/4885ALDH1A1 3187/4885
US-20090156768-A1 Transition Metal Compound, Ligand System, Catalyst System and Process for Preparing Polyolefins C1S, OPRM1, OSTC KMT2A 4162/4885L3MBTL1 251/4885ALDH1A1 3225/4885
US-20100029469-A1 CATALYSTS FOR OLEFIN POLYMERIZATION PORCN, PUF60, CAD KMT2A 4665/4885L3MBTL1 2478/4885ALDH1A1 3187/4885

“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.