SCHEMBL5676247

SCHEMBL5676247

CCCCc1cc(CCC)c(O)c(OC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PTGS2 P35354 6/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KAT8 Q9H7Z6 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL5678371 0.96 ALOX5 (0.46) ALOX5TRPV1PTGS2PPARGPPARA
SCHEMBL981615 0.95 ALOX5 (0.44) ALOX5HPGDNPC1MAPK1HTT
SCHEMBL5676110 0.94 ALOX5 (0.43) ALOX5HPGDNPC1MAPK1HTT
SCHEMBL5676725 0.93 ALOX5 (0.49) ALOX5TRPV1PTGS2PPARGPPARA
SCHEMBL5680723 0.93 ALOX5 (0.49) ALOX5TRPV1PTGS2PPARGPPARA
SCHEMBL5678365 0.93 TRPV1 (0.46) ALOX5HPGDNPC1MAPK1HTT
SCHEMBL5586993 0.92 PTPN1 (0.42) ALOX5TRPV1PTGS2NFKB1NFKB2
SCHEMBL5676706 0.92 PTGS2 (0.50) ALOX5TRPV1PTGS2PPARGPPARA
SCHEMBL5678434 0.91 ALOX5 (0.50) ALOX5TRPV1PTGS2PPARGPPARA
SCHEMBL5676230 0.90 ALOX5 (0.49) ALOX5TRPV1PTGS2PPARGPPARA

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 ALOX5 833/4885HPGD 2482/4885NPC1 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.