SCHEMBL4017475

SCHEMBL4017475

CCn1c(-c2ccccc2-c2ccccc2-c2nc3ccccc3n2CC)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
KDM4E B2RXH2 11/20 0.62
HPGD P15428 8/20 0.62
HTT P42858 5/20 0.60
MAPT P10636 5/20 0.60
HSD17B10 Q99714 4/20 0.60
RCE1 Q9Y256 1/20 0.60
TP53 P04637 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GFER P55789 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL231419 0.98 KDM4E (0.64) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL230641 0.89 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL6144594 0.87 KDM4E (0.50) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL11522697 0.87 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL31551700 0.85 KDM4E (0.48) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL16692204 0.84 KDM4E (0.69) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL5009162 0.82 KDM4E (0.77) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL16692163 0.82 KDM4E (0.66) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL27985773 0.82 KDM4E (0.51) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL16692173 0.81 KDM4E (0.69) ALDH1A1KDM4EHPGDHTTMAPT

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
EP-1268371-A4 NOVEL LATE TRANSITION METAL CATALYST COMPLEXES AND OLIGOMERS THEREFROM EXXONMOBIL RES & ENG CO (US) 2009-07-01 EP claimed
EP-1268371-A1 NOVEL LATE TRANSITION METAL CATALYST COMPLEXES AND OLIGOMERS THEREFROM ExxonMobil Research and Engineering Company (US) 2003-01-02 EP claimed
US-6501000-B1 CATALYTIC CONVERSION OF SHORT CHAIN ALPHA OLEFINS TO LONG CHAIN ALPHA OLEFINS; SELECTIVE, EFFICIENT; NICKEL, PALLADIUM OR PLATINUM WITH DINITROGEN CONTAINING BIDENTATE LIGAND EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2002-12-31 US claimed
WO-2001074743-A1 NOVEL LATE TRANSITION METAL CATALYST COMPLEXES AND OLIGOMERS THEREFROM EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2001-10-11 WO claimed
EP-1268371-A4 NOVEL LATE TRANSITION METAL CATALYST COMPLEXES AND OLIGOMERS THEREFROM EXXONMOBIL RES & ENG CO (US) 2009-07-01 EP disclosed
EP-1492746-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS ExxonMobil Research and Engineering Company (US) 2005-01-05 EP disclosed
US-6777584-B2 USING ORGANOMETALLIC CATALYST EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-08-17 US disclosed
US-6689928-B2 PREPARED IN SITU FROM A NICKEL, PALLADIUM OR PLATIINUM COMPOUND AND A NITROGEN-CONTAINING LIGAND; OLIGOMERIZING OLEFIN MONOMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-02-10 US disclosed
US-20030166985-A1 Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins EXXONMOBIL RESEARCH & ENGINEERING COMPANY 2003-09-04 US disclosed
WO-2003072529-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-09-04 WO disclosed
WO-2003027130-A2 TRANSITION METAL COMPLEXES FOR PREPARING OLEFIN OLIGOMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-04-03 WO disclosed
EP-1268371-A1 NOVEL LATE TRANSITION METAL CATALYST COMPLEXES AND OLIGOMERS THEREFROM ExxonMobil Research and Engineering Company (US) 2003-01-02 EP disclosed
US-6501000-B1 CATALYTIC CONVERSION OF SHORT CHAIN ALPHA OLEFINS TO LONG CHAIN ALPHA OLEFINS; SELECTIVE, EFFICIENT; NICKEL, PALLADIUM OR PLATINUM WITH DINITROGEN CONTAINING BIDENTATE LIGAND EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2002-12-31 US disclosed
US-20020045790-A1 Transition metal complexes and oligomers therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2002-04-18 US disclosed
WO-2001074743-A1 NOVEL LATE TRANSITION METAL CATALYST COMPLEXES AND OLIGOMERS THEREFROM EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2001-10-11 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 (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-20030166985-A1 Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins EEF1D, CYP4Z1, ECH1 ALDH1A1 2839/4885KDM4E 3528/4885HPGD 1251/4885
US-20020045790-A1 Transition metal complexes and oligomers therefrom NCF1, ICOSLG, NPM1 ALDH1A1 2791/4885KDM4E 4701/4885HPGD 1901/4885

“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.