SCHEMBL17816929

SCHEMBL17816929

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PARP14 Q460N5 1/20 0.32
PRKDC P78527 1/20 0.31
LIMK1 P53667 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
SCHEMBL16544698 1.00 ALOX5 (0.41) ALOX5PARP14PRKDCLIMK1
SCHEMBL18160219 0.99 ALOX5 (0.40) ALOX5PARP14PRKDCLIMK1
SCHEMBL18457601 0.97 ALOX5 (0.42) ALOX5PARP14PRKDC
SCHEMBL25145481 0.97 ALOX5 (0.43) ALOX5PARP14PRKDC
SCHEMBL19001974 0.95 ALOX5 (0.40) ALOX5PRKDC
SCHEMBL17690190 0.95 ALOX5 (0.40) ALOX5PRKDC
SCHEMBL21559163 0.95 ALOX5 (0.39) ALOX5PARP14
SCHEMBL19001847 0.95 ALOX5 (0.39) ALOX5PARP14
SCHEMBL19760236 0.95 ALOX5 (0.39) ALOX5PARP14PRKDC
SCHEMBL16544697 0.95 ALOX5 (0.40) ALOX5PARP14PRKDCLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
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 1985/4885PARP14 2946/4885PRKDC 4584/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 ALOX5 1985/4885PARP14 2946/4885PRKDC 4584/4885

“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.