SCHEMBL22050441

SCHEMBL22050441

c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
GGPS1 O95749 1/20 0.36
PRKDC P78527 4/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
TSHR P16473 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL19769809 0.93 ALOX5 (0.35) ALOX5GGPS1PRKDCTSHRPIK3CD
SCHEMBL21964940 0.93 ALOX5 (0.43) ALOX5GGPS1PRKDCPTGES2TSHR
SCHEMBL19769804 0.93 ALOX5 (0.36) ALOX5GGPS1PRKDCTSHRPIK3CD
SCHEMBL21964373 0.92 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2TSHR
SCHEMBL24914547 0.92 ALOX5 (0.38) ALOX5GGPS1PRKDCPTGES2TSHR
SCHEMBL22049944 0.92 ALOX5 (0.38) ALOX5GGPS1PRKDCPTGES2TSHR
SCHEMBL25965156 0.91 PRKDC (0.36) ALOX5GGPS1PRKDCTSHRPIK3CD
SCHEMBL24352517 0.91 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2TSHR
SCHEMBL24914507 0.91 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2TSHR
SCHEMBL24914813 0.91 KDM4E (0.35) TSHRKDM4EATML3MBTL1LMNA

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-20230157165-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-05-18 US disclosed
US-20230157165-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2023-05-18 US disclosed
US-20230019297-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-01-19 US disclosed
US-20200176688-A1 ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-06-04 US 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 (3 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-20230157165-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME L1CAM, MCM2, MAL2 ALOX5 676/4885GGPS1 466/4885PRKDC 3009/4885
US-20200176688-A1 ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE OR10J3, AOX1, OCIAD1 ALOX5 1880/4885GGPS1 2765/4885PRKDC 1451/4885
US-20230019297-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, SOD1 ALOX5 503/4885GGPS1 399/4885PRKDC 3902/4885

“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.