SCHEMBL5589655

SCHEMBL5589655

CC(C)c1cccc(C(C)C)c1N=CCc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 6/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ACHE P22303 1/20 0.34
HRH1 P35367 1/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL5693577 0.99 PIP4K2C (0.37) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
SCHEMBL3699747 0.89 ACHE (0.36) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
SCHEMBL5586902 0.87 ALDH1A1 (0.38) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
SCHEMBL8172159 0.87 KDM4E (0.41) PIP4K2CALDH1A1CYP1A2LMNA
Hydrochloric Acid SCHEMBL3692650 0.86 ACHE (0.34) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
Bromide SCHEMBL3698942 0.86 ACHE (0.34) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
SCHEMBL5693592 0.86 ALDH1A1 (0.38) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
Bromide SCHEMBL3692644 0.86 ACHE (0.34) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
Bromide SCHEMBL3688167 0.86 ACHE (0.34) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1
Hydrochloric Acid SCHEMBL3698983 0.86 ACHE (0.34) PIP4K2CALDH1A1CYP1A2CYP2C19GABRA1

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 4 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
WO-2000018776-A1 DIMERIC DIIMINE TRANSITION METAL COMPLEX AND CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-04-06 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 PIP4K2C 3140/4885ALDH1A1 2181/4885CYP1A2 2390/4885

“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.