SCHEMBL462587

SCHEMBL462587

CCCCCc1cc(OC(C)=O)cc(OC(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.57
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
PTGS2 P35354 4/20 0.51
GPR84 Q9NQS5 2/20 0.51
FUT7 Q11130 1/20 0.51
CYP3A4 P08684 1/20 0.48
THRB P10828 2/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
THRA P10827 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL28313906 0.90 PTGS2 (0.67) ALOX5PTGS2CYP3A4CNR1CNR2
SCHEMBL26430138 0.89 PPARA (0.56) ALOX5CA1CA2CA9FUT7
SCHEMBL28313908 0.89 PTGS2 (0.65) ALOX5PTGS2CYP3A4CNR1CNR2
SCHEMBL10183039 0.87 CYP4F2 (0.58) ALOX5CYP3A4CYP4F2CYP4A11
SCHEMBL16952426 0.85 CYP4F2 (0.59) ALOX5CA1CA2CA9PTGS2
SCHEMBL16953130 0.83 ALOX5 (0.46) ALOX5CA1CA2CA9PTGS2
SCHEMBL30631323 0.83 PPARA (0.63) CYP3A4PPARGPPARA
SCHEMBL27865972 0.83 PPARA (0.63) CYP3A4PPARGPPARA
SCHEMBL1517301 0.82 PPARA (0.66) PPARGPPARACNR1CNR2
SCHEMBL30375077 0.82 PPARA (0.62) CYP3A4PPARGPPARACNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404891-B1 PREPARATION METHOD OF ACYLBENZENES DSM IP ASSETS BV (NL) 2015-09-02 EP disclosed
US-8642800-B2 Preparation method of acylbenzenes DSM IP ASSETS B.V. (NL) 2014-02-04 US disclosed
US-20120022284-A1 PREPARATION METHOD OF ACYLBENZENES DSM IP ASSETS B.V. (NL) 2012-01-26 US disclosed
EP-2404891-A1 PREPARATION METHOD OF ACYLBENZENES DSM IP Assets B.V. (NL) 2012-01-11 EP 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-20120022284-A1 PREPARATION METHOD OF ACYLBENZENES ACACB, SDHB, TET2 ALOX5 1018/4885CA1 1245/4885CA2 938/4885

“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.