SCHEMBL13870804

SCHEMBL13870804

CCc1ccc2nc(-c3cc(C)cc(C)c3)c(CC)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTK2B Q14289 1/20 0.40
▸ PSMB5 P28074 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM1 Q13255 2/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL13870805 0.88 PDE3B (0.42) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14500806 0.81 KDM4E (0.47) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL13870825 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL13870806 0.80 PDE3B (0.38) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL13870800 0.78 KMT2A (0.47) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL14500822 0.72 GPBAR1 (0.49) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL13870802 0.72 PDE3B (0.40) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3387112 0.71 PSMB5 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21448965 0.70 MEN1 (0.40) MEN1KMT2ASMN1; SMN2LMNACYP1A2
SCHEMBL14500810 0.70 MAOB (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD

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-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 — — US disclosed
US-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 — — US disclosed
US-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2009-04-02 — — US disclosed
US-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2009-04-02 — — 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 (1 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-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IK, G6PD, EYA2 MEN1 1373/4885KMT2A 2208/4885ALDH1A1 111/4885

“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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