SCHEMBL17816771

SCHEMBL17816771

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc5-c5ccccc54)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PRKDC P78527 1/20 0.32
PARP14 Q460N5 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
F9 P00740 1/20 0.31

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
SCHEMBL19530893 0.99 ALOX5 (0.41) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL18326078 0.99 ALOX5 (0.43) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL18326070 0.99 ALOX5 (0.43) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL19530880 0.97 ALOX5 (0.44) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL18326079 0.97 ALOX5 (0.41) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL18326177 0.97 ALOX5 (0.44) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL18326095 0.94 ALOX5 (0.41) ALOX5PRKDCPARP14
SCHEMBL17804663 0.94 ALOX5 (0.42) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL17804858 0.94 ALOX5 (0.42) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL18326077 0.94 ALOX5 (0.42) ALOX5PRKDCPARP14

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
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
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 (2 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 1985/4885PRKDC 4584/4885PARP14 2946/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 ALOX5 1985/4885PRKDC 4584/4885PARP14 2946/4885

“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.