SCHEMBL5676536

SCHEMBL5676536

CCCCc1cc(C)c(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
MAPK1 P28482 1/20 0.68
RAB9A P51151 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
PTGS2 P35354 4/20 0.48
CYP3A4 P08684 2/20 0.48
SKP2 Q13309 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 1/20 0.43
CNR2 P34972 1/20 0.41
OPRM1 P35372 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5676804 0.94 HTT (0.60) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL200140 0.90 NPC1 (0.63) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676527 0.88 HTT (0.50) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL6351058 0.87 NPC1 (0.72) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28217743 0.84 HTT (0.81) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1021166 0.83 PTGS2 (0.63) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL11311693 0.83 HTT (0.56) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1022711 0.82 NPC1 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL199839 0.82 PTGS2 (0.64) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL13871951 0.82 NPC1 (0.64) 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.