SCHEMBL6143071

SCHEMBL6143071

C=CCn1c(-c2ccccc2-c2ccccc2)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 3/20 0.64
RAB9A P51151 2/20 0.64
HSD17B10 Q99714 4/20 0.60
TSHR P16473 3/20 0.60
TP53 P04637 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PDE6D O43924 1/20 0.54
ALDH2 P05091 1/20 0.54
ALDH3A1 P30838 1/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53

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
SCHEMBL6844740 0.92 KDM4E (0.67) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL23552408 0.89 KDM4E (0.81) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30581237 0.85 KDM4E (0.66) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29076183 0.85 KDM4E (0.66) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30581236 0.84 KDM4E (0.60) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30581249 0.84 KDM4E (0.60) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29076126 0.84 KDM4E (0.60) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29076186 0.84 KDM4E (0.60) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29076118 0.81 KDM4E (0.70) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL30581245 0.81 KDM4E (0.70) KDM4ENPSR1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2003027130-A2 TRANSITION METAL COMPLEXES FOR PREPARING OLEFIN OLIGOMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-04-03 WO claimed
US-20020045790-A1 Transition metal complexes and oligomers therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2002-04-18 US claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020045790-A1 Transition metal complexes and oligomers therefrom NCF1, ICOSLG, NPM1 KDM4E 4701/4885NPSR1 1935/4885ALDH1A1 2791/4885

“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.