SCHEMBL3271291

SCHEMBL3271291

c1ccc2c(-c3ccc4c(c3)[nH]c3ccc5ccccc5c34)cccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.55
CCND1 P24385 13/20 0.55
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL13510729 0.94 CDK4 (0.52) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL3269406 0.90 CDK4 (0.48) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL22894081 0.89 CDK4 (0.54) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL15860151 0.84 CDK4 (0.74) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL16310858 0.84 CDK4 (0.61) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL15791176 0.84 CDK4 (0.74) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL30959746 0.84 AHR (0.52) MCL1ACMSDCA12CA1CA2
SCHEMBL3273641 0.84 AHR (0.52) MCL1ACMSDCA12CA1CA2
SCHEMBL3269415 0.82 CDK4 (0.47) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL22661399 0.82 CDK4 (0.58) CDK4CCND1CCNB2CCNE2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US disclosed
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US disclosed
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US disclosed
EP-2102309-B1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-06-30 EP disclosed
EP-2102309-B1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-06-30 EP disclosed
US-20100019663-A1 FUSED AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANIC LAYER COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2010-01-28 US disclosed
US-20100019663-A1 FUSED AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANIC LAYER COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2010-01-28 US disclosed
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-12-10 US disclosed
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-12-10 US disclosed
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-12-10 US disclosed
EP-2102309-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-09-23 EP disclosed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed
WO-2008086851-A1 CARBAZOLE DERIVATIVES FOR ORGANC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-07-24 WO disclosed
US-20080122344-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-29 US disclosed
US-20080122344-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-29 US disclosed
US-20080124455-A1 ORGANIC LIGHT EMITTING COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-29 US disclosed
US-20080124455-A1 ORGANIC LIGHT EMITTING COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-29 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 (4 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-20080124455-A1 ORGANIC LIGHT EMITTING COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE CYBA, CRY2, CRY1 CDK4 971/4885CCND1 103/4885CCNB2 329/4885
US-20080122344-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE CYBA, CRY2, LAS1L CDK4 1524/4885CCND1 223/4885CCNB2 510/4885
US-20100019663-A1 FUSED AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING ORGANIC LAYER COMPRISING THE SAME OCIAD1, OCIAD2, APOL1 CDK4 1032/4885CCND1 325/4885CCNB2 779/4885
US-20090302752-A1 CARBAZOLE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, CACNA2D1, CYCS CDK4 526/4885CCND1 711/4885CCNB2 1257/4885

“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.