SCHEMBL15032678

SCHEMBL15032678

COCC(=O)C1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MCL1 Q07820 1/20 0.39
TLR4 O00206 6/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.35
RECQL P46063 1/20 0.35
THRB P10828 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
SCHEMBL9148661 0.82 TLR4 (0.39) MAPK1MCL1TLR4CYP1A2
SCHEMBL10192815 0.79 ALDH1A1 (0.42) MAPK1NPSR1CYP1A2
SCHEMBL535037 0.79 MCL1 (0.42) MAPK1MCL1TLR4CYP1A2RECQL
SCHEMBL10534278 0.77 TLR4 (0.64) MAPK1TLR4NPSR1
SCHEMBL9146338 0.77 MAPK1 (0.44) MAPK1MCL1TLR4
SCHEMBL535116 0.76 HSD17B10 (0.43) MAPK1MCL1TLR4CYP1A2
SCHEMBL31276435 0.75 MAPK1 (0.47) MAPK1MCL1TLR4CYP1A2RECQL
SCHEMBL21373971 0.75 MCL1 (0.42) MAPK1MCL1TLR4CYP1A2RECQL
SCHEMBL374935 0.75 MAPK1 (0.47) MAPK1MCL1TLR4CYP1A2RECQL
SCHEMBL28544847 0.75 MCL1 (0.42) MAPK1MCL1TLR4NPSR1CYP1A2

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
US-20130158093-A1 GPR 17 Agonists and Screening Assay Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2013-06-20 US disclosed
US-20130158093-A1 GPR 17 Agonists and Screening Assay Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2013-06-20 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-20130158093-A1 GPR 17 Agonists and Screening Assay GPR27, GPR17, GPR65 MAPK1 1893/4885MCL1 4579/4885TLR4 237/4885

“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.