SCHEMBL5680433

SCHEMBL5680433

CCCCc1cc(CCC)c(CCCC)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TYR P14679 3/20 0.43
ALOX5 P09917 6/20 0.41
PTGS2 P35354 3/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
EGFR P00533 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5677052 0.98 NPC1 (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5680724 0.96 ALOX5 (0.46) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5920261 0.96 TYR (0.43) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5677022 0.94 ALOX5 (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5677005 0.94 TYR (0.44) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5678560 0.92 ALOX5 (0.49) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5677890 0.92 ALOX5 (0.49) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5848803 0.92 ALOX5 (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5920562 0.92 ALOX5 (0.49) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5678580 0.91 TYR (0.42) HTTNPC1HPGDMAPK1RAB9A

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 HTT 2378/4885NPC1 3879/4885HPGD 2482/4885

“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.