SCHEMBL13870819

SCHEMBL13870819

COc1cc2cc(C(C)C)ccc2nc1-c1cc(C)cc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ TP53 P04637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ ERN1 O75460 1/20 0.34

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
SCHEMBL13870817 0.84 PDGFRB (0.44) PSMB5PDGFRBPDGFRAALDH1A1TP53
SCHEMBL13870810 0.84 PDE10A (0.44) PSMB5ALDH1A1TP53NPC1RAB9A
SCHEMBL13399629 0.80 PDGFRB (0.47) PDGFRBPDGFRAHTT
SCHEMBL24795838 0.78 ESR1 (0.40) PSMB5ALDH1A1TP53NPC1RAB9A
SCHEMBL30685546 0.78 ESR1 (0.40) PSMB5ALDH1A1TP53NPC1RAB9A
SCHEMBL13870821 0.78 RORC (0.40) PDGFRBPDGFRAKMT2AHTT
SCHEMBL13870825 0.78 MEN1 (0.41) PDGFRBPDGFRAALDH1A1TP53NPC1
SCHEMBL13870826 0.76 PDGFRB (0.39) PDGFRBPDGFRANPC1RAB9AMAPT
SCHEMBL21098341 0.76 CYP1A2 (0.42) PSMB5ALDH1A1NPC1RAB9AKDM4E
SCHEMBL14500804 0.76 MEN1 (0.45) PSMB5PDGFRBPDGFRAALDH1A1TP53

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 PSMB5 4884/4885PDGFRB 1748/4885PDGFRA 1137/4885

“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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