SCHEMBL5196695

SCHEMBL5196695

CCCCc1c(C)cc(C)c(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ESR1 P03372 3/20 0.41
ALOX5 P09917 5/20 0.40
ESR2 Q92731 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
TYR P14679 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTGS2 P35354 1/20 0.38
SKP2 Q13309 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP19A1 P11511 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
SCHEMBL5680104 0.89 LDHA (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL8617664 0.83 HTT (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5681218 0.82 HPGD (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5680700 0.82 HPGD (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5678035 0.80 TYR (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5676478 0.80 TYR (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11362871 0.79 LDHA (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5677859 0.79 ESR1 (0.43) KDM4EESR1ALOX5ESR2LDHA
SCHEMBL31545390 0.79 NPC1 (0.52) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5800572 0.79 CYP19A1 (0.46) NPC1HPGDMAPK1HTTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620447-B1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEM PATENTS INC (US) 2007-08-08 EP disclosed
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 NPC1 3879/4885HPGD 2482/4885MAPK1 2361/4885

“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.