SCHEMBL5676306

SCHEMBL5676306

CCCCc1cc(C)cc(OC(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PTGS2 P35354 4/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38
EGFR P00533 1/20 0.37
PTGES O14684 1/20 0.36
TOP2A P11388 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PTPN1 P18031 1/20 0.36
TYR P14679 1/20 0.36
PPARD Q03181 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35

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
SCHEMBL5676203 0.95 ALOX5 (0.50) ALOX5ALDH1A1KDM4EHSD17B10PTGS2
SCHEMBL5676848 0.91 ALDH1A1 (0.41) ALOX5ALDH1A1KDM4EHSD17B10PTGS2
SCHEMBL5680643 0.85 KDM4E (0.36) ALOX5ALDH1A1KDM4EHSD17B10PTGS2
SCHEMBL981615 0.85 ALOX5 (0.44) ALOX5ALDH1A1HSD17B10PTGS2HPGD
SCHEMBL5678278 0.84 ALOX5 (0.43) ALOX5ALDH1A1HSD17B10PTGS2HPGD
SCHEMBL5676110 0.84 ALOX5 (0.43) ALOX5ALDH1A1PTGS2HPGDHTT
SCHEMBL5676725 0.82 ALOX5 (0.49) ALOX5PTGS2PTGESTOP2APPARG
SCHEMBL5680723 0.82 ALOX5 (0.49) ALOX5PTGS2PTGESTOP2APPARG
SCHEMBL5676706 0.81 PTGS2 (0.50) ALOX5PTGS2PPARGPPARA
SCHEMBL5678434 0.81 ALOX5 (0.50) ALOX5ALDH1A1PTGS2PPARGPPARA

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 833/4885ALDH1A1 1898/4885KDM4E 4009/4885

“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.