SCHEMBL12440925

SCHEMBL12440925

Cc1ccc2c(c1)C(C)(C)c1cc(I)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.39
▸ MAPT P10636 4/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ THRB P10828 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MAOA P21397 1/20 0.32

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
SCHEMBL13752351 0.93 PDK2 (0.38) PDK2MAPTTDP1THRBMEN1
SCHEMBL23183445 0.91 HTR2A (0.36) PDK2MAPTTDP1THRBMEN1
SCHEMBL19141370 0.91 HTR2A (0.39) PDK2MAPTTDP1MEN1KMT2A
SCHEMBL29649835 0.89 TDP2 (0.38) TDP2TGM2CES1CASP3
SCHEMBL1419163 0.89 TDP2 (0.38) TDP2TGM2CES1CASP3
SCHEMBL31065872 0.89 TDP2 (0.38) TDP2TGM2CES1CASP3
SCHEMBL4368315 0.87 PDK2 (0.46) PDK2MAPTTDP1THRBMEN1
SCHEMBL9956421 0.82 TDP2 (0.34) PDK2TDP2
SCHEMBL431200 0.80 HTR2A (0.38) PDK2TDP2HTR2AHTR2C
SCHEMBL19292554 0.80 HTR2A (0.42) PDK2MAPTTDP1THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11043639-B2 Charge transport material, composition including the charge transport material, and organic light-emitting device including the composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-06-22 — — US disclosed
US-10745516-B2 Narrow-range polyacetylene ester compound and preparation method therefor SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2020-08-18 — — US disclosed
US-20200212313-A1 CHARGE TRANSPORT MATERIAL, COMPOSITION INCLUDING THE CHARGE TRANSPORT MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 — — US disclosed
EP-2468725-B1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2019-07-17 — — EP disclosed
US-20190127518-A1 Narrow-Range Polyacetylene Ester Compound and Preparation Method Therefor SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2019-05-02 — — US disclosed
US-9963550-B2 Polymers and organic electronic device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2018-05-08 — — US disclosed
WO-2017115578-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 大電株式会社 2017-07-06 — — WO disclosed
US-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 — — US disclosed
US-20150274890-A1 POLYMERS AND ORGANIC ELECTRONIC DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-10-01 — — US disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 — — US disclosed
EP-2075309-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-07-01 — — 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 PDK2 4007/4885MAPT 456/4885TDP1 3076/4885

“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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