SCHEMBL5693592

SCHEMBL5693592

Cc1cc(C(C)C)c(N=CCc2ccccn2)c(C(C)C)c1.[Ni]

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
ACHE P22303 1/20 0.37
PIP4K2C Q8TBX8 2/20 0.35
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR5A P47898 1/20 0.32

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
SCHEMBL5586902 0.99 ALDH1A1 (0.38) ALDH1A1ACHEPIP4K2CKMT2ACYP1A2
Hydrochloric Acid SCHEMBL3692650 0.90 ACHE (0.34) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
Bromide SCHEMBL3698942 0.90 ACHE (0.34) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
SCHEMBL3699747 0.89 ACHE (0.36) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
SCHEMBL5693577 0.88 PIP4K2C (0.37) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
Bromide SCHEMBL3692644 0.87 ACHE (0.34) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
Bromide SCHEMBL3688167 0.87 ACHE (0.34) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3696794 0.87 ACHE (0.34) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL3698983 0.87 ACHE (0.34) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19
SCHEMBL5589655 0.86 PIP4K2C (0.38) ALDH1A1ACHEPIP4K2CCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2181/4885ACHE 3995/4885PIP4K2C 3140/4885

“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.