SCHEMBL5680795

SCHEMBL5680795

CCc1cc(C)c(O)c(OC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.42
CXCL12 P48061 1/20 0.42
ESR1 P03372 3/20 0.38
PKM P14618 1/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 2/20 0.37
ALOX5 P09917 2/20 0.37
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.34
ANTXR2 P58335 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL5676532 0.87 HMGB1 (0.40) HMGB1CXCL12ESR1PTGS2PTGS1
SCHEMBL5195259 0.84 TRPV1 (0.42) PKMPTGS2PTGS1ALOX5RXRA
SCHEMBL5676539 0.84 HPGD (0.45) HMGB1CXCL12ESR1PKMPTGS2
SCHEMBL5676807 0.83 PTGS2 (0.45) ESR1PTGS2ALOX5CYP3A4SMN1; SMN2
SCHEMBL5680252 0.83 HMGB1 (0.37) HMGB1CXCL12ESR1PKM
SCHEMBL5676409 0.79 PTPN1 (0.39) PTGS2PTGS1ALOX5NFKB1
SCHEMBL5588261 0.78 ALDH1A1 (0.42) HMGB1CXCL12PKMPOLBPOLA1
SCHEMBL12121960 0.78 PTGS2 (0.55) PTGS2PTGS1ALOX5CYP3A4ALDH1A1
SCHEMBL28886717 0.77 PKM (0.44) PKMALDH1A1
SCHEMBL5678278 0.76 ALOX5 (0.43) ESR1PTGS2ALOX5ALDH1A1NFKB1

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 HMGB1 696/4885CXCL12 3559/4885ESR1 26/4885

“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.