SCHEMBL21658814

SCHEMBL21658814

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5cccc6c5sc5c(-c7cccc8c7oc7ccccc78)cccc56)cccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ MAPT P10636 8/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ PRKDC P78527 4/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TSHR P16473 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ GGPS1 O95749 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL23349563 0.97 ALOX5 (0.42) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL18216717 0.96 ALOX5 (0.43) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL23349712 0.93 PRKDC (0.44) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL18216714 0.92 LIMK1 (0.43) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL26711914 0.91 ALOX5 (0.43) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL18216719 0.91 LIMK1 (0.39) ALOX5MAPTALDH1A1KDM4EPRKDC
SCHEMBL23349842 0.91 ALOX5 (0.49) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL21658957 0.91 ALOX5 (0.49) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL18216711 0.91 ALOX5 (0.49) ALOX5MAPTALDH1A1KDM4EPOLB
SCHEMBL23349780 0.91 PRKDC (0.42) ALOX5MAPTALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331754-A1 MONONUCLEAR TRIPODAL HEXADENTATE IRIDIUM COMPLEXES FOR USE IN OLEDS UDC IRELAND LIMITED (IE) 2023-10-19 — — US disclosed
US-20230331754-A1 MONONUCLEAR TRIPODAL HEXADENTATE IRIDIUM COMPLEXES FOR USE IN OLEDS UDC IRELAND LIMITED (IE) 2023-10-19 — — US disclosed
US-20230295104-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-09-21 — — US disclosed
US-20230295104-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-09-21 — — US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 — — US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 — — US disclosed
WO-2020022779-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-01-30 — — 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-20230331754-A1 MONONUCLEAR TRIPODAL HEXADENTATE IRIDIUM COMPLEXES FOR USE IN OLEDS OCIAD1, OCIAD2, NUDT1 ALOX5 246/4885MAPT 2387/4885ALDH1A1 1063/4885
US-20230295104-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM ALOX5 2211/4885MAPT 753/4885ALDH1A1 441/4885

“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.

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