SCHEMBL6253463

SCHEMBL6253463

CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PLA2G1B P04054 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ALOX15 P16050 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 3/20 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
SCHEMBL29607788 1.00 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL19649436 0.91 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL23222587 0.89 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL18015676 0.89 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL21338266 0.88 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL1823358 0.87 KIF11 (0.42) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL14739962 0.83 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL1134714 0.82 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL29816195 0.82 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL26104894 0.82 TSHR (0.41) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025233881-A1 METHODS FOR MAKING TRIHYDROCARBYL PHOSPHINES, PRE-METALLATION COMPOUNDS AND SINGLE SITE POLYMERIZATION CATALYSTS NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) 2025-11-13 WO disclosed
US-12291593-B2 Compounds for use in catalyst compositions for the production of polyolefins SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2025-05-06 US disclosed
EP-4031592-B1 COMPOUNDS FOR USE IN CATALYST COMPOSITIONS FOR THE PRODUCTION OF POLYOLEFINS SABIC GLOBAL TECHNOLOGIES BV (NL) 2025-04-30 EP disclosed
US-11911749-B2 Chromium catalyst precursor, ethylene oligomerization catalyst including the same, and method of preparing ethylene oligomer SK INNOVATION CO., LTD. (KR) 2024-02-27 US disclosed
US-20230413662-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-12-21 US disclosed
EP-4240718-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2023-09-13 EP disclosed
CN-116323559-A Material for electronic devices 默克专利有限公司 2023-06-23 CN disclosed
EP-2838929-B1 POLYMERS CONTAINING SUBSTITUTED TRIARYLAMINE UNITS AND ELECTROLUMINESCENT DEVICES CONTAINING SAID POLYMERS MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
WO-2023072975-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
WO-2023072976-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 WO disclosed
CN-104271632-A Polymers containing substituted triarylamine units and electroluminescent devices containing said polymers MERCK PATENT GMBH 2015-01-07 CN disclosed
WO-2013156130-A1 POLYMERS CONTAINING SUBSTITUTED TRIARYLAMINE UNITS AND ELECTROLUMINESCENT DEVICES CONTAINING SAID POLYMERS MERCK PATENT GMBH (DE) 2013-10-24 WO disclosed
WO-2013120577-A1 SPIROBIFLUORENE COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-22 WO disclosed
EP-1143538-B1 Organic electroluminescent element containing a silacyclopentadiene derivative CHISSO CORP (JP) 2005-09-14 EP disclosed
US-6416887-B1 HAVING LAMINATE LAYERS BETWEEN ELECTRODES, USED AS LIGHT SOURCES FOR LIQUID CRYSTAL DISPLAYS KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2002-07-09 US disclosed
EP-1143538-A1 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative Chisso Corporation (JP) 2001-10-10 EP disclosed
US-6051319-A Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 2000-04-18 US disclosed
US-5986121-A Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 1999-11-16 US disclosed
EP-0754691-A2 Silacyclopentadiene derivatives and an organic electroluminescent element obtained by using the silacyclopentadiene derivative CHISSO CORPORATION (JP) 1997-01-22 EP disclosed
US-4898802-A Toner compositions with organo boron negative charge enhancing additives XEROX CORPORATION (US) 1990-02-06 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-12291593-B2 Compounds for use in catalyst compositions for the production of polyolefins RPLP0, RPS20, RPS10 ALDH1A1 1508/4885NPC1 4107/4885RAB9A 2816/4885
US-20230413662-A1 MATERIALS FOR ELECTRONIC DEVICES PMS2, ESR1, ERCC1 ALDH1A1 583/4885NPC1 2971/4885RAB9A 1496/4885
US-11911749-B2 Chromium catalyst precursor, ethylene oligomerization catalyst including the same, and method of preparing ethylene oligomer MSMO1, MMAB, MUS81 ALDH1A1 3421/4885NPC1 4350/4885RAB9A 3975/4885

“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.