SCHEMBL13870830

SCHEMBL13870830

COc1ccc2nc(-c3cc(C)cc(C)c3)c(C(C)(C)C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NCF1 P14598 1/20 0.41
▸ PDE3B Q13370 3/20 0.41
▸ PDE3A Q14432 3/20 0.41
▸ NQO1 P15559 1/20 0.39
▸ PDGFRB P09619 2/20 0.39
▸ PDGFRA P16234 2/20 0.39

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
SCHEMBL14500808 0.92 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL13870814 0.84 CYP1A2 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL13870833 0.84 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL14500823 0.82 GPBAR1 (0.37) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL15691051 0.81 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL14500801 0.78 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL14500806 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL13870832 0.78 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL13870813 0.76 MAPT (0.36) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL14112774 0.75 NCF1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDTP53

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 KDM4E 2874/4885ALDH1A1 111/4885SMN1; SMN2 4169/4885

“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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