SCHEMBL13870806

SCHEMBL13870806

CCc1cc2cc(C)c(C)cc2nc1-c1cc(C)cc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ BCAT2 O15382 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ HEXA P06865 1/20 0.34
▸ HEXB P07686 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ERBB2 P04626 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
SCHEMBL13870788 0.84 PDE10A (0.46) PDE3BPDE3APOLBBCAT2MAPT
SCHEMBL13870800 0.82 KMT2A (0.47) MAPTKDM4ECYP1A2KMT2AALDH1A1
SCHEMBL13870805 0.82 PDE3B (0.42) PDE3BPDE3AMAPTKDM4ECYP1A2
SCHEMBL13870804 0.80 MEN1 (0.41) MAPTKDM4ECYP1A2KMT2AALDH1A1
SCHEMBL14500822 0.76 GPBAR1 (0.49) MAPTKDM4EALDH1A1NPSR1HSD17B10
SCHEMBL14500806 0.76 KDM4E (0.47) PDE3BPDE3APOLBMAPTKDM4E
SCHEMBL13870802 0.75 PDE3B (0.40) PDE3BPDE3APOLBKDM4ECYP1A2
SCHEMBL8353234 0.74 GRM1 (0.44) PDE3BPDE3APOLBBCAT2MAPT
SCHEMBL13870949 0.74 KMT2A (0.36) MAPTKDM4EKMT2AHEXAHEXB
SCHEMBL13870826 0.73 PDGFRB (0.39) PDE3BPDE3APOLBMAPTKDM4E

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 PDE3B 3736/4885PDE3A 3858/4885POLB 2195/4885

“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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