SCHEMBL679067

SCHEMBL679067

CC(C)(C)c1ccc2c(c1)C1(c3cc(Br)ccc3-c3ccc(Br)cc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL22745012 1.00 PDK2 (0.40) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL14073378 0.96 PDK2 (0.38) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL29456661 0.92 PDK2 (0.49) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL3885909 0.92 PDK2 (0.49) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL22744936 0.92 PDK2 (0.49) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL23485174 0.91 PDK2 (0.39) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL14620934 0.91 PDK2 (0.35) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL16186429 0.91 PDK2 (0.35) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL429926 0.87 PDK2 (0.39) PDK2ALDH1A1MEN1KMT2AGAA
SCHEMBL31547362 0.87 PDK2 (0.39) PDK2ALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348400-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING APPARATUS SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-11-02 US disclosed
US-20230348400-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING APPARATUS SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-11-02 US disclosed
US-20230354704-A1 METHOD FOR MANUFACTURING ORGANIC EL DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-11-02 US disclosed
US-20230354704-A1 METHOD FOR MANUFACTURING ORGANIC EL DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2023-11-02 US disclosed
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
EP-3487864-B1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-04-29 EP disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
WO-2018019688-A1 METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
US-9691989-B2 Carbo- and heterocyclic spiro compounds as donor materials for organic photovoltaics and their preparation THE UNIVERSITY OF HONG KONG (CN) 2017-06-27 US disclosed
US-9691989-B2 Carbo- and heterocyclic spiro compounds as donor materials for organic photovoltaics and their preparation THE UNIVERSITY OF HONG KONG (CN) 2017-06-27 US disclosed
US-6911551-B2 Spiro compounds based on boron or aluminum and the use of the same in the electronics industry COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-06-28 US disclosed
US-20050038223-A1 Conjugated polymers containing spirobifluorene units and the use thereof MERCK PATENT GMBH (DE) 2005-02-17 US disclosed
EP-1345948-B1 SPIRO COMPOUNDS BASED ON BORON OR ALUMINIUM AND THE USE OF THE SAME IN THE ELECTRONICS INDUSTRY COVION ORGANIC SEMICONDUCTORS (DE) 2004-10-13 EP disclosed
EP-1381639-B1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS (DE) 2004-09-08 EP disclosed
US-20040135131-A1 Conjugated polymers containing spirobifluorene units and fluorene units, and the use thereof MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
EP-1427768-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-06-16 EP disclosed
US-20040063981-A1 Spiro compounds based on boron or aluminium and the use of the same in the electronics industry MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
EP-1381639-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF Covion Organic Semiconductors GmbH (DE) 2004-01-21 EP disclosed
WO-2003020790-A2 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-03-13 WO disclosed
WO-2002077060-A1 CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND FLUORENE UNITS, AND THE USE THEREOF COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2002-10-03 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 (2 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-20040063981-A1 Spiro compounds based on boron or aluminium and the use of the same in the electronics industry BRSK1, BRSK2, ORAI2 PDK2 1604/4885ALDH1A1 2571/4885MEN1 1635/4885
US-20230348400-A1 ORGANIC COMPOUND, LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING APPARATUS CCNL2, TBL2, TBL3 PDK2 1652/4885ALDH1A1 481/4885MEN1 837/4885

“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.