SCHEMBL3022646

SCHEMBL3022646

CC(=O)c1ccc(Br)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
S100A4 P26447 1/20 0.47
CYP2A6 P11509 1/20 0.45
HPGD P15428 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PRKCI P41743 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B1 P14061 1/20 0.41
MEN1 O00255 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL10034774 0.82 PKM (0.50) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL985272 0.82 PKM (0.55) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL10943538 0.82 AKR1C3 (0.46) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL29784872 0.82 CHRNA1 (0.51) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL588574 0.82 CHRNA1 (0.51) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL407154 0.82 RAB9A (0.67) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL333891 0.80 ALDH1A1 (0.47) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL381027 0.80 NPC1 (0.44) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL6120711 0.80 MAPT (0.44) MAPTALDH1A1PKMRAB9ANPC1
SCHEMBL1841487 0.80 MAPT (0.51) MAPTALDH1A1PKMRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028819-B Organic ligand compound of tetraphenyl ethylene terpyridine, coordination supermolecule, preparation and application thereof 中南大学 2021-12-10 CN claimed
CN-112028819-A Organic ligand compound of tetraphenyl ethylene terpyridine, coordination supermolecule, preparation and application thereof 中南大学 2020-12-04 CN claimed
WO-2024115332-A1 COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2024-06-06 WO disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-112028819-B Organic ligand compound of tetraphenyl ethylene terpyridine, coordination supermolecule, preparation and application thereof 中南大学 2021-12-10 CN disclosed
CN-112028819-A Organic ligand compound of tetraphenyl ethylene terpyridine, coordination supermolecule, preparation and application thereof 中南大学 2020-12-04 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
EP-2120095-B1 USE OF A COMPOSITION FOR FORMING A RESIST LOWER LAYER FILM FOR ELECTRON LITHOGRAPHY NISSAN CHEMICAL IND LTD (JP) 2013-04-24 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
WO-2000075094-A2 METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-12-14 WO disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
US-3954876-A HALOCUMENE OXIDATION CATALYZED BY METAL PHTHALOCYANINE COMPLEX YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1976-05-04 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MAPT 4315/4885ALDH1A1 565/4885PKM 2836/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MAPT 4294/4885ALDH1A1 2295/4885PKM 3806/4885

“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.