SCHEMBL13870800

SCHEMBL13870800

CCc1cc2ccc(C)cc2nc1-c1cc(C)cc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ CYP1A2 P05177 2/20 0.42
▸ ALDH1A1 P00352 9/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 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 0.87 PDE3B (0.42) KMT2ANPSR1CYP1A2ALDH1A1KDM4E
SCHEMBL14500822 0.84 GPBAR1 (0.49) NPSR1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13870806 0.82 PDE3B (0.38) KMT2ANPSR1CYP1A2ALDH1A1KDM4E
SCHEMBL13870792 0.80 PDE10A (0.49) KMT2ANPSR1CYP1A2ALDH1A1KDM4E
SCHEMBL13870804 0.78 MEN1 (0.41) KMT2ANPSR1CYP1A2ALDH1A1KDM4E
SCHEMBL22296337 0.78 ALDH1A1 (0.54) KMT2ANPSR1CYP1A2ALDH1A1KDM4E
SCHEMBL13870949 0.76 KMT2A (0.36) KMT2ANPSR1ALDH1A1KDM4EMEN1
SCHEMBL14500806 0.75 KDM4E (0.47) KMT2ANPSR1ALDH1A1KDM4EMEN1
SCHEMBL13647155 0.75 GPBAR1 (0.47) NPSR1ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL19243071 0.75 KMT2A (0.75) KMT2ANPSR1CYP1A2ALDH1A1KDM4E

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 KMT2A 2208/4885NPSR1 3158/4885CYP1A2 3387/4885

“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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