SCHEMBL17425720

SCHEMBL17425720

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5c(-c7cccc(-c8ccccc8)c7)cccc56)c4)n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.36
PRKDC P78527 8/20 0.36
ALOX5 P09917 1/20 0.35
ENPP3 O14638 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17640467 1.00 PDK2 (0.36) PDK2PRKDCALOX5ENPP3ALDH1A1
SCHEMBL17640305 1.00 PDK2 (0.36) PDK2PRKDCALOX5ENPP3ALDH1A1
SCHEMBL17640309 0.99 PDK2 (0.36) PDK2PRKDCALOX5ENPP3ALDH1A1
SCHEMBL17640298 0.99 ALOX5 (0.36) PDK2PRKDCALOX5ALDH1A1MAPT
SCHEMBL17640345 0.99 PDK2 (0.37) PDK2PRKDCALOX5ENPP3ALDH1A1
SCHEMBL17640302 0.99 ALOX5 (0.36) PDK2PRKDCALOX5ENPP3ALDH1A1
SCHEMBL17425539 0.98 PDK2 (0.35) PDK2PRKDCALOX5ENPP3ALDH1A1
SCHEMBL17425709 0.98 ALOX5 (0.35) PDK2PRKDCALOX5ALDH1A1MAPT
SCHEMBL17640296 0.98 ALOX5 (0.36) PDK2PRKDCALOX5ALDH1A1MAPT
SCHEMBL17640356 0.98 ALOX5 (0.36) PDK2PRKDCALOX5ALDH1A1MAPT

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-20170054087-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-02-23 US disclosed
US-20160093808-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-03-31 US disclosed
US-20160028021-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-01-28 US disclosed
EP-2966706-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2016-01-13 EP 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-20160028021-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OR10J3 PDK2 1226/4885PRKDC 4297/4885ALOX5 336/4885

“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.