SCHEMBL16745241

SCHEMBL16745241

c1ccc(-c2ccc3[nH]c4ccc(-c5cccc6ccccc56)cc4c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.51
CCND1 P24385 5/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MCL1 Q07820 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
ALK Q9UM73 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCHE P06276 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL3339205 0.97 CA12 (0.52) CDK4CCND1CA12CA1CA2
SCHEMBL28304527 0.94 CDK4 (0.49) CDK4CCND1CA12CA1CA2
SCHEMBL17154795 0.93 CA12 (0.51) CDK4CCND1CA12CA1CA2
SCHEMBL14828366 0.93 MCL1 (0.47) CDK4CCND1CA12CA1CA2
SCHEMBL18028385 0.92 AHR (0.47) CDK4CCND1CA12CA1CA2
SCHEMBL30030358 0.90 CA12 (0.49) CDK4CCND1CA12CA1CA2
SCHEMBL18428557 0.90 CA12 (0.49) CDK4CCND1CA12CA1CA2
SCHEMBL3419553 0.90 AHR (0.52) CDK4CCND1CA12CA1CA2
SCHEMBL262853 0.89 CDK4 (0.42) CDK4CCND1CA12CA1CA2
SCHEMBL15745279 0.87 CDK4 (0.46) CDK4CCND1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432242-B A kind of organic electroluminescent compounds and application thereof and organic electroluminescence device 北京鼎材科技有限公司 2019-07-12 CN disclosed
US-10333081-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2019-06-25 US disclosed
CN-109836421-A A kind of general formula compound and its application 北京鼎材科技有限公司 2019-06-04 CN disclosed
CN-109309166-A Organic electroluminescence device and contain 2,6,9,10- quaternary anthracene compounds 北京鼎材科技有限公司 2019-02-05 CN disclosed
CN-109251195-A A kind of general formula compound and its application in luminous organic material 北京鼎材科技有限公司 2019-01-22 CN disclosed
CN-109251197-A A kind of general formula compound and its application in luminous organic material 北京鼎材科技有限公司 2019-01-22 CN disclosed
CN-109206376-A The benzo indeno fluorene derivative and its application that condensed hetero ring replaces 固安鼎材科技有限公司 2019-01-15 CN disclosed
CN-109111433-A A kind of organic electroluminescent compounds and application thereof and organic electroluminescence device 北京鼎材科技有限公司 2019-01-01 CN disclosed
CN-108727390-A Pyrene derivatives and its application in luminous organic material 北京鼎材科技有限公司 2018-11-02 CN disclosed
CN-108727389-A Pyrene derivatives and its application in luminous organic material 北京鼎材科技有限公司 2018-11-02 CN disclosed
CN-108623526-A Anthracene substitutive derivative and its application 北京鼎材科技有限公司 2018-10-09 CN disclosed
CN-108341825-A Perimidine derivative and its application 北京鼎材科技有限公司 2018-07-31 CN disclosed
US-20180138423-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO LTD (KR) 2018-05-17 US disclosed
US-20180138423-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO LTD (KR) 2018-05-17 US disclosed
US-9899607-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2018-02-20 US disclosed
US-9899607-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2018-02-20 US disclosed
EP-2889296-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE Cheil Industries Inc. (KR) 2015-07-01 EP disclosed
US-20150144938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-05-28 US disclosed
US-20150144938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-05-28 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 (3 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-20180138423-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, ODC1 CDK4 1109/4885CCND1 101/4885CA12 3659/4885
US-20150144938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, ODC1 CDK4 1109/4885CCND1 101/4885CA12 3659/4885
US-10333081-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode OR51E2, AOX1, ODC1 CDK4 1109/4885CCND1 101/4885CA12 3659/4885

“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.