SCHEMBL5680768

SCHEMBL5680768

CCCc1cc(O)c(O)c(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ DHFR P00374 1/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTPN11 Q06124 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL5586990 0.89 CYP2C9 (0.47) BACE1HTTALDH1A1CYP2C9ALOX15
SCHEMBL1023550 0.89 DHFR (0.47) BACE1HTTALDH1A1CYP2C9NPC1
SCHEMBL5678355 0.88 HTT (0.60) BACE1HTTALDH1A1CYP2C9ALOX15
SCHEMBL5193762 0.86 PTGS2 (0.55) HTTALDH1A1HSD17B10NPC1HPGD
SCHEMBL1023576 0.85 DHFR (0.53) BACE1HTTALDH1A1CYP2C9CNR1
SCHEMBL5195249 0.85 ALOX15 (0.50) BACE1HTTALDH1A1CYP2C9ALOX15
SCHEMBL1173905 0.84 HTT (0.52) HTTALDH1A1HSD17B10NPC1HPGD
SCHEMBL5676106 0.84 HTT (0.55) HTTALDH1A1CYP2C9ALOX15HSD17B10
SCHEMBL5676405 0.83 CYP2C9 (0.46) BACE1HTTALDH1A1CYP2C9ALOX15
SCHEMBL5676224 0.82 PTGS2 (0.50) HTTALDH1A1ALOX15NPC1HPGD

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 BACE1 575/4885HTT 2378/4885ALDH1A1 1898/4885

“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.

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