SCHEMBL5680854

SCHEMBL5680854

CCCCc1c(CCC)cc(CC)c(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
TYR P14679 2/20 0.38
CYP19A1 P11511 1/20 0.37
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36
DHFR P00374 1/20 0.35
PRKCI P41743 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL5677844 0.93 TYR (0.42) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5677052 0.92 NPC1 (0.47) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5680945 0.92 HPGD (0.47) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5676834 0.91 TYR (0.45) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5680433 0.91 HTT (0.46) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5676188 0.89 TYR (0.46) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5680724 0.87 ALOX5 (0.46) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5848803 0.87 ALOX5 (0.45) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5920261 0.87 TYR (0.43) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL5678075 0.87 ALOX5 (0.44) HPGDHTTNPC1MAPK1RAB9A

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

“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.