SCHEMBL7023960

SCHEMBL7023960

COC(C)(c1nc2ccccc2n1C)c1nc2ccccc2n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
ATM Q13315 1/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
ACSS2 Q9NR19 1/20 0.46
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
CNR2 P34972 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.42
CDK5 Q00535 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL6479700 0.85 SMN1; SMN2 (0.58) ALOX15SMN1; SMN2ATMMAPTTP53
SCHEMBL38664142 0.79 ALOX15 (0.57) ALOX15SMN1; SMN2ATMMAPTTP53
SCHEMBL6479789 0.79 SMN1; SMN2 (0.59) ALOX15SMN1; SMN2ATMMAPTACSS2
SCHEMBL6493316 0.79 SMN1; SMN2 (0.55) ALOX15SMN1; SMN2ATMMAPTACSS2
SCHEMBL10969560 0.78 SMN1; SMN2 (0.57) ALOX15SMN1; SMN2ATMMAPTTP53
SCHEMBL22014073 0.78 SMN1; SMN2 (0.51) ALOX15SMN1; SMN2ATMMAPTTP53
SCHEMBL8799913 0.77 SMN1; SMN2 (0.60) ALOX15SMN1; SMN2ATMMAPTTP53
SCHEMBL30034162 0.77 SMN1; SMN2 (0.55) ALOX15SMN1; SMN2ATMMAPTTP53
SCHEMBL5851401 0.77 SMN1; SMN2 (0.55) ALOX15SMN1; SMN2ATMMAPTTP53
SCHEMBL13104750 0.76 SMN1; SMN2 (0.52) ALOX15SMN1; SMN2ATMMAPTTP53

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 10 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
US-6506859-B1 Contacting olefinic monomers with activated organoaluminum; addition polymerization EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2003-01-14 US claimed
US-20020045790-A1 Transition metal complexes and oligomers therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2002-04-18 US claimed
US-6180788-B1 METAL COMPLEXES FOR CATALYSTS WITH COPPER, SILVER OR GOLD EXXON RESEARCH AND ENGINEERING COMPANY 2001-01-30 US claimed
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
US-6506859-B1 Contacting olefinic monomers with activated organoaluminum; addition polymerization EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2003-01-14 US disclosed
US-20020045790-A1 Transition metal complexes and oligomers therefrom EXXONMOBIL CHEMICAL PATENTS INC. 2002-04-18 US disclosed
US-6180788-B1 METAL COMPLEXES FOR CATALYSTS WITH COPPER, SILVER OR GOLD EXXON RESEARCH AND ENGINEERING COMPANY 2001-01-30 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-20030166985-A1 Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins EEF1D, CYP4Z1, ECH1 ALOX15 26/4885SMN1; SMN2 3252/4885ATM 4463/4885
US-20020045790-A1 Transition metal complexes and oligomers therefrom NCF1, ICOSLG, NPM1 ALOX15 296/4885SMN1; SMN2 3391/4885ATM 4491/4885

“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.