SCHEMBL5678355

SCHEMBL5678355

CCCCc1cc(O)c(O)c(CC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ PTGS2 P35354 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ BACE1 P56817 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TYR P14679 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ GPR84 Q9NQS5 2/20 0.42

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
SCHEMBL5193762 0.94 PTGS2 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL981614 0.90 HTT (0.62) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL199705 0.90 HPGD (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676244 0.89 HTT (0.60) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5680768 0.88 BACE1 (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5676717 0.87 HTT (0.58) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL5680720 0.87 HTT (0.58) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL1023152 0.86 HPGD (0.52) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL30628001 0.86 HPGD (0.52) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL6351058 0.86 NPC1 (0.72) 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.

Send feedback