SCHEMBL21089680

SCHEMBL21089680

Cc1ccc(C)c(-c2cc(-c3cccc4ccccc34)c3nc(-c4ccccc4N)sc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTR2C P28335 1/20 0.33

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
SCHEMBL21089673 0.89 ALDH1A1 (0.47) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089678 0.88 PDCD1 (0.38) KDM4EMAPTNPC1SMN1; SMN2MEN1
SCHEMBL21089677 0.87 MAPT (0.43) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089317 0.85 KDM4E (0.35) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089682 0.82 ALDH1A1 (0.43) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089501 0.82 ALDH1A1 (0.45) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089206 0.81 ALDH1A1 (0.46) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089463 0.81 ALDH1A1 (0.41) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089467 0.79 ALOX5 (0.40) KDM4EMAPTALDH1A1NPC1GAA
SCHEMBL21089385 0.78 ALDH1A1 (0.56) KDM4EMAPTALDH1A1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 KDM4E 812/4885MAPT 1819/4885ALDH1A1 451/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 KDM4E 812/4885MAPT 1819/4885ALDH1A1 451/4885

“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.