SCHEMBL5680838

SCHEMBL5680838

CCc1cc(O)c(OC(=O)O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRKCE Q02156 1/20 0.33
HSD17B1 P14061 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GAA P10253 1/20 0.33
ELANE P08246 1/20 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
SCHEMBL5678681 0.93 NPSR1 (0.36) NPSR1CYP3A4SMN1; SMN2TDP1HSD17B1
SCHEMBL5680928 0.88 PTPN1 (0.41) NPSR1
SCHEMBL5676155 0.87 ALOX15 (0.42) ALOX15ALOX12PRKCEGAA
SCHEMBL5678440 0.85 PTPN1 (0.41) NPSR1SMN1; SMN2
SCHEMBL5678450 0.84 PTPN1 (0.45) ALOX15CYP3A4TDP1
SCHEMBL5680170 0.83 ALDH1A1 (0.38) NPSR1ALOX15ALOX12CYP3A4TDP1
SCHEMBL5678036 0.81 HMGCR (0.45) NPSR1
SCHEMBL28962328 0.79 HSD17B2 (0.45) TDP1GAA
SCHEMBL5678232 0.79 HMGCR (0.46) ALOX15ALOX12
SCHEMBL5676850 0.79 HMGCR (0.46) ALOX15ALOX12

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 NPSR1 3509/4885ALOX15 907/4885ALOX12 764/4885

“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.