SCHEMBL5587694

SCHEMBL5587694

CC(=Nc1c(C)cc(C)cc1C)c1cncc(C(C)=Nc2c(C)cc(C)cc2C)n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL5587690 1.00 HCAR2 (0.32) HCAR2GAAKDM4EALDH1A1LMNA
SCHEMBL6912296 0.87 KDM4E (0.33) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL6912292 0.87 KDM4E (0.33) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7176570 0.84 KDM4E (0.31) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7178354 0.84 KDM4E (0.31) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7173214 0.84 KDM4E (0.31) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7180404 0.84 KDM4E (0.31) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7176713 0.84 KDM4E (0.31) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7185035 0.84 KDM4E (0.31) GAAKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL7182017 0.84 KDM4E (0.31) GAAKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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 (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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 HCAR2 3141/4885GAA 1882/4885KDM4E 1868/4885

“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.