SCHEMBL236472

SCHEMBL236472

CC(=O)c1ccc2c(c1)C(C)(C)c1ccccc1-2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.63
S100A4 P26447 1/20 0.53
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B1 P14061 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30705226 1.00 PDK2 (0.63) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL5056728 0.97 PDK2 (0.60) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL15040998 0.91 MAPT (0.57) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL9886708 0.88 PDK2 (0.55) PDK2THRBTDP1
SCHEMBL16271512 0.88 PDK2 (0.49) PDK2THRBTDP1
SCHEMBL15040977 0.87 MAPT (0.53) PDK2S100A4MAPTNPC1RAB9A
SCHEMBL15502019 0.87 MAPT (0.51) PDK2S100A4MAPTHSD17B1SMN1; SMN2
SCHEMBL31135472 0.87 PDK2 (0.49) PDK2S100A4
SCHEMBL30340691 0.86 PDK2 (0.53) PDK2THRBTDP1
SCHEMBL13269073 0.86 PDK2 (0.53) PDK2THRBTDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240172558-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2024-05-23 US disclosed
EP-4286379-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE Idemitsu Kosan Co.,Ltd. (JP) 2023-12-06 EP disclosed
WO-2022163734-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE 出光興産株式会社 2022-08-04 WO disclosed
US-11374176-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US disclosed
US-20190348615-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-11-14 US disclosed
US-10418563-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-09-17 US disclosed
US-10199580-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-02-05 US disclosed
US-20180102485-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-20180102485-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-9893296-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-02-13 US disclosed
US-20160111655-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-04-21 US disclosed
US-9209406-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-12-08 US disclosed
US-9209406-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-12-08 US disclosed
US-20140073784-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073784-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-03-13 US disclosed
US-20140018536-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-01-16 US disclosed
US-8586206-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-11-19 US disclosed
EP-2589596-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2013-05-08 EP disclosed
US-20120001154-A1 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. 2012-01-05 US disclosed
US-20080001515-A1 FLUORESCENT COMPLEX AND LIGHTING SYSTEM USING THE SAME KABUSHIKI KAISHA TOSHIBA (JP) 2008-01-03 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 (8 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-20080001515-A1 FLUORESCENT COMPLEX AND LIGHTING SYSTEM USING THE SAME LAGE3, KCNK4, KCNK5 PDK2 624/4885S100A4 4188/4885MAPT 1774/4885
US-10418563-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 PDK2 2609/4885S100A4 1711/4885MAPT 3845/4885
US-20180102485-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT RER1, L1CAM, ESR1 PDK2 2609/4885S100A4 1711/4885MAPT 3845/4885
US-20240172558-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE RER1, AP2A1, AP2A2 PDK2 4159/4885S100A4 3892/4885MAPT 3277/4885
US-11374176-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 PDK2 2609/4885S100A4 1711/4885MAPT 3845/4885
US-20120001154-A1 Aromatic amine derivative and organic electroluminescence device using the same AOC3, NPR3, AOC2 PDK2 2282/4885S100A4 1371/4885MAPT 1568/4885
US-10199580-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 PDK2 2610/4885S100A4 1715/4885MAPT 3853/4885
US-20190348615-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT RER1, L1CAM, ESR1 PDK2 2609/4885S100A4 1711/4885MAPT 3845/4885

“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.