SCHEMBL19452602

SCHEMBL19452602

c1ccc(-c2nc3c(ccc4ccc(-c5cccc6c5sc5ccccc56)cc43)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PRKDC P78527 3/20 0.42
PTPN1 P18031 7/20 0.40
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.36

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
SCHEMBL19452706 0.98 ALOX5 (0.46) ALOX5PRKDCPTPN1RCE1ALDH1A1
SCHEMBL21000591 0.92 ALOX5 (0.47) ALOX5PRKDCPTPN1RCE1ALDH1A1
SCHEMBL21000580 0.90 ALOX5 (0.46) ALOX5PRKDCPTPN1RCE1ALDH1A1
SCHEMBL21000715 0.88 ALOX5 (0.40) ALOX5PRKDCPTPN1RCE1ALDH1A1
SCHEMBL25523821 0.88 ALOX5 (0.39) ALOX5PRKDCPTPN1RCE1ALDH1A1
SCHEMBL9603946 0.86 ALOX5 (0.46) ALOX5PRKDCPTPN1RCE1ALDH1A1
SCHEMBL25523687 0.83 ALOX5 (0.39) ALOX5PRKDCPTPN1RCE1ALDH1A1
SCHEMBL19452282 0.83 ALOX5 (0.49) ALOX5PRKDCALDH1A1KDM4EHPGD
SCHEMBL19452411 0.81 ALOX5 (0.47) ALOX5PRKDCALDH1A1KDM4EHPGD
SCHEMBL21000609 0.81 ALOX5 (0.40) ALOX5PRKDCPTPN1RCE1ALDH1A1

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
US-20210083197-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-03-18 US disclosed
US-10927103-B1 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2021-02-23 US disclosed
US-10727416-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-07-28 US disclosed
US-20190148645-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-05-16 US disclosed
WO-2017175986-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-12 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 (4 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-20210083197-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, L1CAM, SOD1 ALOX5 813/4885PRKDC 2443/4885PTPN1 3208/4885
US-10927103-B1 Organic electroluminescent compound and organic electroluminescent device comprising the same TERT, L1CAM, SOD1 ALOX5 813/4885PRKDC 2443/4885PTPN1 3208/4885
US-10727416-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same TERT, L1CAM, SOD1 ALOX5 813/4885PRKDC 2443/4885PTPN1 3208/4885
US-20190148645-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, L1CAM, SOD1 ALOX5 813/4885PRKDC 2443/4885PTPN1 3208/4885

“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.