SCHEMBL13348593

SCHEMBL13348593

CCCCc1ccc(OC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARA Q07869 1/20 0.44
ACACB O00763 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42

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
SCHEMBL26939981 0.92 ESR1 (0.53) POLBKDM4EPPARAALDH1A1HSD17B10
SCHEMBL19058769 0.92 ESR1 (0.53) POLBKDM4EPPARAALDH1A1HSD17B10
SCHEMBL8734047 0.92 ESR1 (0.53) POLBKDM4EPPARAALDH1A1HSD17B10
SCHEMBL7903010 0.88 POLB (0.53) POLBKDM4ECYP1A2GAACYP2D6
SCHEMBL8138064 0.85 CA1 (0.47) KDM4ECA2CA1GAAPPARA
SCHEMBL5355098 0.82 POLB (0.53) POLBKDM4ECA2CYP1A2GAA
SCHEMBL5351638 0.82 POLB (0.49) POLBKDM4ECYP1A2GAACYP2D6
SCHEMBL14378253 0.82 PPARA (0.47) KDM4ECA2CA1GAAPPARA
SCHEMBL24180739 0.82 PPARA (0.45) POLBKDM4EPPARAALDH1A1HSD17B10
SCHEMBL20419190 0.82 POLB (0.45) POLBKDM4ECYP1A2GAACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 US 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-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS TRPV1, TRPA1, TRPV2 POLB 4871/4885KDM4E 4518/4885CA2 1756/4885

“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.