SCHEMBL21147950

SCHEMBL21147950

CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)c5)cccc34)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
GGPS1 O95749 1/20 0.37
PRKDC P78527 4/20 0.37
PTGES2 Q9H7Z7 1/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 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
SCHEMBL19196077 0.97 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL15501784 0.96 ALOX5 (0.42) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL15501936 0.94 ALOX5 (0.43) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL17425613 0.94 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL17425485 0.94 ALOX5 (0.36) ALOX5PRKDCMAPTALDH1A1TSHR
SCHEMBL22309366 0.93 ALOX5 (0.38) ALOX5GGPS1PRKDCMAPTALDH1A1
SCHEMBL24097626 0.93 ALOX5 (0.45) ALOX5GGPS1PRKDCPTGES2MAPT
SCHEMBL17425539 0.93 PDK2 (0.35) ALOX5PRKDCMAPTALDH1A1KMT2A
SCHEMBL17425594 0.93 PDK2 (0.34) ALOX5PRKDCMAPTALDH1A1TSHR
SCHEMBL17425709 0.93 ALOX5 (0.35) ALOX5PRKDCMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-11 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 (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-11706977-B2 Heterocyclic compound, composition including the same, and organic light-emitting device including the heterocyclic compound CRY1, CYP1B1, CYP1A1 ALOX5 441/4885GGPS1 181/4885PRKDC 4625/4885
US-20190214570-A1 HETEROCYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND CRY1, CYP1B1, CYP1A1 ALOX5 441/4885GGPS1 181/4885PRKDC 4625/4885

“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.