SCHEMBL699462

SCHEMBL699462

Brc1cccc(/C=C/c2cccc(Br)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.65
ALDH1A1 P00352 3/20 0.65
NFE2L2 Q16236 2/20 0.50
HSD11B1 P28845 1/20 0.50
SLC6A19 Q695T7 1/20 0.50
BACE1 P56817 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP1B1 Q16678 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRNA7 P36544 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP19A1 P11511 1/20 0.44

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
SCHEMBL8900441 1.00 HSD17B3 (0.65) HSD17B3ALDH1A1NFE2L2HSD11B1SLC6A19
SCHEMBL709614 1.00 HSD17B3 (0.65) HSD17B3ALDH1A1NFE2L2HSD11B1SLC6A19
SCHEMBL699998 0.93 HSD17B3 (0.59) HSD17B3ALDH1A1NFE2L2BACE1MAPT
SCHEMBL699999 0.93 HSD17B3 (0.59) HSD17B3ALDH1A1NFE2L2BACE1MAPT
SCHEMBL8900696 0.91 HSD17B3 (0.57) HSD17B3ALDH1A1NFE2L2HSD11B1SLC6A19
SCHEMBL699611 0.91 HSD17B3 (0.57) HSD17B3ALDH1A1NFE2L2HSD11B1SLC6A19
SCHEMBL699610 0.91 HSD17B3 (0.57) HSD17B3ALDH1A1NFE2L2HSD11B1SLC6A19
SCHEMBL11464066 0.90 HSD17B3 (0.61) HSD17B3ALDH1A1HSD11B1SLC6A19BACE1
SCHEMBL23935305 0.87 HSD17B3 (0.53) HSD17B3ALDH1A1NFE2L2HSD11B1SLC6A19
SCHEMBL7090618 0.87 ALDH1A1 (0.83) HSD17B3ALDH1A1HSD11B1SLC6A19BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-04 US disclosed
US-8703388-B2 Optical data storage media GENERAL ELECTRIC COMPANY (US) 2014-04-22 US disclosed
US-8507153-B2 Compositions, optical data storage media and methods for using the optical data storage media GENERAL ELECTRIC COMPANY (US) 2013-08-13 US disclosed
EP-2290651-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-10-10 EP disclosed
EP-2290408-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-08-15 EP disclosed
US-20120163145-A1 OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-06-28 US disclosed
US-20120052232-A1 USE OF APPENDED DYES IN OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-03-01 US disclosed
EP-2423917-A2 Use of chemically bonded dyes in holographic data storage media General Electric Company (US) 2012-02-29 EP disclosed
US-8124299-B2 Methods for using optical data storage media GENERAL ELECTRIC COMPANY (US) 2012-02-28 US disclosed
US-20110053055-A1 COMPOSITIONS, OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2011-03-03 US disclosed
EP-2290408-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed
EP-2290651-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed
US-20100302927-A1 OPTICAL DATA STORAGE MEDIUM AND METHODS FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2010-12-02 US disclosed
US-7638663-B2 large energy gap; use in electronic appliance with low power consumption; e.g. 3,3'-di(phenanthrene-9-yl)stilbene SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-12-29 US disclosed
US-7638663-B2 large energy gap; use in electronic appliance with low power consumption; e.g. 3,3'-di(phenanthrene-9-yl)stilbene SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-12-29 US disclosed
US-7638663-B2 large energy gap; use in electronic appliance with low power consumption; e.g. 3,3'-di(phenanthrene-9-yl)stilbene SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-12-29 US disclosed
US-20070100180-A1 Stilbene derivative, light emitting element material, light emitting element, light emitting device and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-05-03 US disclosed
EP-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP 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-20190207117-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE MAOA, MAOB, COMT HSD17B3 662/4885ALDH1A1 47/4885NFE2L2 491/4885
US-20070100180-A1 Stilbene derivative, light emitting element material, light emitting element, light emitting device and electronic appliance TLL1, MT-ATP8, TLL2 HSD17B3 2007/4885ALDH1A1 280/4885NFE2L2 7/4885

“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.