SCHEMBL1103002

SCHEMBL1103002

c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4)c4ncccc34)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.41
ENPP1 P22413 1/20 0.40
CKS1B P61024 4/20 0.40
SKP2 Q13309 4/20 0.40
GLO1 Q04760 2/20 0.40
COMT P21964 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MMP2 P08253 1/20 0.36
DHODH Q02127 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1103042 0.97 TOP1 (0.42) TOP1ENPP1CKS1BSKP2GLO1
SCHEMBL1102974 0.95 TOP1 (0.41) TOP1ENPP1CKS1BSKP2GLO1
SCHEMBL1102848 0.92 TOP1 (0.44) TOP1ENPP1CKS1BSKP2GLO1
SCHEMBL1103097 0.88 L3MBTL1 (0.41) TOP1CKS1BSKP2GLO1MMP2
SCHEMBL1102949 0.88 L3MBTL1 (0.41) TOP1CKS1BSKP2GLO1MMP2
SCHEMBL1102789 0.88 L3MBTL1 (0.41) TOP1CKS1BSKP2GLO1MMP2
SCHEMBL1102990 0.88 L3MBTL1 (0.41) TOP1CKS1BSKP2GLO1MMP2
SCHEMBL1103143 0.87 TOP1 (0.40) TOP1MMP2DHODHHSP90AA1L3MBTL1
SCHEMBL1103202 0.87 TNF (0.41) TOP1ENPP1CKS1BSKP2GLO1
SCHEMBL1103061 0.87 CKS1B (0.48) TOP1ENPP1CKS1BSKP2GLO1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 TOP1 4307/4885ENPP1 2661/4885CKS1B 3839/4885

“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.