SCHEMBL12036710

SCHEMBL12036710

c1ccc(-c2ccc(N3Cc4cccc(c4)-c4ccccc4N(c4ccc(-c5ccccc5)cc4)Cc4cccc(c4)-c4ccccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.39
▸ HTR7 P34969 3/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ TYMS P04818 1/20 0.34
▸ HSD17B3 P37058 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 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
SCHEMBL12036708 0.94 BRD2 (0.38) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL12036709 0.89 NPC1 (0.44) HTR7HTR1ABRD4BRD2BRD3
SCHEMBL12036703 0.77 HTR7 (0.36) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL12036706 0.73 HPGD (0.36) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL14920698 0.72 NPC1 (0.46) HTR1AHSD17B3LMNANPC1RAB9A
SCHEMBL14933489 0.71 NPC1 (0.45) HTR1ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL14933594 0.70 TYRO3 (0.44) HSD17B3LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12036704 0.70 FABP4 (0.32) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL14933445 0.69 UGCG (0.46) HTR7HTR1AHTR2AHTR5AHTR6
SCHEMBL14933595 0.69 TYRO3 (0.36) HSD17B3MGLLLMNANPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085579-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-21 — — US disclosed
US-9085579-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-21 — — US disclosed
US-20110315933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-12-29 — — US disclosed
US-20110315933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-12-29 — — US disclosed
WO-2010102709-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-09-16 — — WO 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-20110315933-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, L1CAM, VCL PDE6D 1971/4885HTR7 4444/4885HTR1A 4402/4885

“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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