SCHEMBL5680801

SCHEMBL5680801

CCCCc1c(CC)cc(O)c(O)c1CCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX5 P09917 5/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
TYR P14679 2/20 0.41
PGAM1 P18669 1/20 0.39
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL5920555 0.96 HTT (0.50) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5920192 0.95 ALOX5 (0.51) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5678006 0.93 ALOX5 (0.53) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676592 0.93 PGAM1 (0.43) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5920126 0.91 HTT (0.48) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676243 0.91 HTT (0.48) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5678353 0.91 ALOX5 (0.54) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676100 0.88 ALOX5 (0.51) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676568 0.88 ALOX5 (0.51) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5677867 0.88 ALOX5 (0.51) 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.