SCHEMBL5678255

SCHEMBL5678255

CCCc1ccc(N(CC)CC)c(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.43
ELANE P08246 2/20 0.36
CTSG P08311 1/20 0.36
TYR P14679 2/20 0.36
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 2/20 0.32
ALDH1A3 P47895 1/20 0.32
HMGCR P04035 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
HCAR3 P49019 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
SCHEMBL5678043 0.89 TYR (0.45) PRKCIELANECTSGTYRCYP3A4
SCHEMBL5590177 0.81 PRKCI (0.57) PRKCIELANECTSGTYRCYP3A4
SCHEMBL5678257 0.76 PRKCI (0.38) PRKCIELANECTSGTP53HTT
SCHEMBL5196215 0.74 PRKCI (0.57) PRKCIELANECTSGTYRHMGCR
SCHEMBL8046204 0.74 ALDH1A3 (0.33) PRKCIALDH1A1ALDH1A3MAPTHCAR3
SCHEMBL9417107 0.74 ALDH1A1 (0.40) ALDH1A1CYP3A4ALDH1A3MAPTKDM4E
SCHEMBL5445936 0.73 PRKCI (0.60) PRKCIELANECTSGTYRALOX5
SCHEMBL28762559 0.73 PRKCI (0.50) PRKCIELANECTSGTYRCYP3A4
SCHEMBL5676016 0.73 TYR (0.55) PRKCIELANECTSGTYRCYP3A4
SCHEMBL27439980 0.73 PRKCI (0.50) PRKCIELANECTSGTYRCYP3A4

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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III ZHAO BAIYI 2006-02-16 US disclosed
EP-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 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-20060036049-A1 Soluble late transition metal catalysts for olefin oligomerizations III COMT, CD69, SPR PRKCI 4096/4885ELANE 2735/4885CTSG 1859/4885

“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.