SCHEMBL3339205

SCHEMBL3339205

c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CDK4 P11802 6/20 0.51
CCND1 P24385 6/20 0.51
ALK Q9UM73 1/20 0.47
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCL1 Q07820 1/20 0.43
ACMSD Q8TDX5 1/20 0.43

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
SCHEMBL16745241 0.97 CDK4 (0.51) CA12CA1CA2CA9CDK4
SCHEMBL17154795 0.97 CA12 (0.51) CA12CA1CA2CA9CDK4
SCHEMBL30030358 0.94 CA12 (0.49) CA12CA1CA2CA9CDK4
SCHEMBL18428557 0.94 CA12 (0.49) CA12CA1CA2CA9CDK4
SCHEMBL28304527 0.91 CDK4 (0.49) CA12CA1CA2CA9CDK4
SCHEMBL14828366 0.90 MCL1 (0.47) CA12CA1CA2CA9CDK4
SCHEMBL18028385 0.89 AHR (0.47) CA12CA1CA2CA9CDK4
SCHEMBL15745279 0.87 CDK4 (0.46) CA12CA1CA2CA9CDK4
SCHEMBL3419553 0.87 AHR (0.52) CA12CA1CA2CA9CDK4
SCHEMBL263173 0.86 ALK (0.41) CA12CA1CA2CA9CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512877-B2 Naphthyl carbazole derivatives, KL host material, the organic light emitting device employing the same, the display device and the illumination device employing the same DONGWOO FINE-CHEM (KR) 2013-08-20 US disclosed
US-20100156283-A1 NAPHTHYL CARBAZOLE DERIVATIVES, KL HOST MATERIAL, THE ORGANIC LIGHT EMITTING DEVICE EMPLOYING THE SAME, THE DISPLAY DEVICE AND THE ILLUMINATION DEVICE EMPLOYING THE SAME DONGWOO FINE-CHEM (KR) 2010-06-24 US disclosed
WO-2008120899-A1 NAPHTHYL CARBAZOLE DERIVATIVES, KL HOST MATERIAL, THE ORGANIC LIGHT EMITTING DEVICE EMPLOYING THE SAME, THE DISPLAY DEVICE AND THE ILLUMINATION DEVICE EMPLOYING THE SAME DONGWOO FINE-CHEM (KR) 2008-10-09 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-20100156283-A1 NAPHTHYL CARBAZOLE DERIVATIVES, KL HOST MATERIAL, THE ORGANIC LIGHT EMITTING DEVICE EMPLOYING THE SAME, THE DISPLAY DEVICE AND THE ILLUMINATION DEVICE EMPLOYING THE SAME NCKAP1L, KLK1, KLK14 CA12 2204/4885CA1 2217/4885CA2 2594/4885

“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.