SCHEMBL4791192

SCHEMBL4791192

CC(=O)c1ccc(C(C)(C)C)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL2346964 0.85 TDP1 (0.56) TDP1HDAC1ALDH1A1ALOX15HSD17B10
SCHEMBL30519391 0.83 CES2 (0.50) ALDH1A1ALOX15HSD17B10HPGDMEN1
SCHEMBL2477164 0.83 CES2 (0.50) ALDH1A1ALOX15HSD17B10HPGDMEN1
SCHEMBL19251088 0.83 TDP1 (0.42) TDP1HDAC1ALDH1A1ALOX15HSD17B10
SCHEMBL11542493 0.81 ALDH1A1 (0.41) TDP1HDAC1ALDH1A1ALOX15HSD17B10
SCHEMBL26615858 0.80 CFTR (0.47) TDP1HDAC1ALDH1A1HSD17B10HPGD
SCHEMBL27498316 0.80 HSP90AB1 (0.43) TDP1HDAC1ALDH1A1ALOX15HSD17B10
SCHEMBL7218153 0.80 TDP1 (0.50) TDP1HDAC1ALDH1A1ALOX15HSD17B10
SCHEMBL4343478 0.78 ALDH1A1 (0.57) TDP1ALDH1A1ALOX15HSD17B10HPGD
SCHEMBL22916677 0.78 MAPT (0.41) TDP1HDAC1ALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841483-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
EP-2004596-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
WO-2007120647-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed
WO-2007120647-A2 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 WO disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 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 (4 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC TDP1 2457/4885HDAC1 1890/4885ALDH1A1 2742/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG TDP1 1791/4885HDAC1 3415/4885ALDH1A1 3712/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT TDP1 3999/4885HDAC1 1370/4885ALDH1A1 4235/4885
US-20070238733-A1 Drugs for various disorders such as sodium channel modulators, cardiovascular disorders, antiarrhythmia agents ar nervous system disorders KCNH1, SCN5A, CACNA1A TDP1 951/4885HDAC1 1300/4885ALDH1A1 906/4885

“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.