SCHEMBL5678043

SCHEMBL5678043

CCCCc1ccc(N(CC)CC)c(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.45
ELANE P08246 5/20 0.39
CTSG P08311 4/20 0.39
ALOX5 P09917 3/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKCI P41743 1/20 0.34
CTRC Q99895 1/20 0.34
IAPP P10997 1/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL5678255 0.89 PRKCI (0.43) TYRELANECTSGALOX5PTGS2
SCHEMBL982811 0.82 TYR (0.59) TYRELANECTSGALOX5PTGS2
SCHEMBL5676016 0.78 TYR (0.55) TYRELANECTSGALOX5PTGS2
SCHEMBL5678235 0.78 TYR (0.66) TYRELANECTSGALOX5PTGS2
SCHEMBL5678046 0.78 TYR (0.36) TYRELANECTSGTP53TSHR
SCHEMBL5676906 0.77 TYR (0.53) TYRELANECTSGALOX5PTGS2
SCHEMBL5677194 0.76 TYR (0.68) TYRELANECTSGALOX5PTGS2
SCHEMBL2382145 0.75 TYR (0.61) TYRELANECTSGALOX5PTGS2
SCHEMBL3995610 0.73 TYR (0.55) TYRELANECTSGALOX5PTGS2
SCHEMBL5677935 0.72 TYR (0.63) TYRELANECTSGALOX5PTGS2

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 TYR 275/4885ELANE 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.