SCHEMBL17816683

SCHEMBL17816683

c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc(-c4cccc5c4C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PIM3 Q86V86 1/20 0.33
PDK2 Q15119 1/20 0.30

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
SCHEMBL19530856 0.91 PIM3 (0.34) ALOX5PIM3PDK2
SCHEMBL16996527 0.89 PIM3 (0.34) ALOX5PIM3PDK2
SCHEMBL24646715 0.89 PIM3 (0.34) ALOX5PIM3PDK2
SCHEMBL16996508 0.89 PIM3 (0.34) ALOX5PIM3PDK2
SCHEMBL16996490 0.89 PIM3 (0.34) ALOX5PIM3PDK2
SCHEMBL21764638 0.89 PIM3 (0.32) PIM3
SCHEMBL17816832 0.89 PIM3 (0.33) ALOX5PIM3
SCHEMBL17804823 0.88 PIM3 (0.34) ALOX5PIM3PDK2
SCHEMBL17903084 0.88 PIM3 (0.34) ALOX5PIM3PDK2
SCHEMBL17805029 0.88 PIM3 (0.34) ALOX5PIM3PDK2

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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 ALOX5 1985/4885PIM3 1518/4885PDK2 893/4885

“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.