SCHEMBL3565886

SCHEMBL3565886

O=C(O)/C=C/c1cccc(CBr)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 3/20 0.59
PKM P14618 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HDAC4 P56524 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
TNKS O95271 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
LTB4R Q15722 1/20 0.52

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
SCHEMBL3565889 1.00 KDM4E (0.59) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL10021704 0.89 HSD17B3 (0.61) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL14968897 0.86 KDM4E (0.56) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL14968898 0.86 KDM4E (0.56) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL853485 0.84 NPSR1 (0.61) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL853486 0.84 NPSR1 (0.61) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL69146 0.82 NPSR1 (0.74) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL271386 0.82 NPSR1 (0.74) KDM4EALDH1A1PKMNPSR1HDAC4
SCHEMBL31380271 0.82 TTR (0.53) KDM4EALDH1A1SMN1; SMN2AKR1B10AKR1B1
SCHEMBL10509071 0.82 TTR (0.53) KDM4EALDH1A1SMN1; SMN2AKR1B10AKR1B1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204357-B1 FLUORESCENT SYNTHETIC RETINOIDS HIGH FORCE RES LIMITED (GB) 2022-01-19 EP disclosed
US-10759762-B2 Fluorescent synthetic retinoids HIGH FORCE RESEARCH LIMITED (GB) 2020-09-01 US disclosed
US-10059668-B2 LSD1 inhibitors Mirati Therapeutics, Inc. (US) 2018-08-28 US disclosed
EP-3204357-A2 FLUORESCENT SYNTHETIC RETINOIDS High Force Research Limited (GB) 2017-08-16 EP disclosed
US-20170217893-A1 Fluorescent Synthetic Retinoids HIGH FORCE RESEARCH LIMITED (GB) 2017-08-03 US disclosed
WO-2017079476-A1 LSD1 INHIBITORS Mirati Therapeutics, Inc. (US) 2017-05-11 WO disclosed
US-20170129857-A1 LSD1 Inhibitors Mirati Therapeutics, Inc. (US) 2017-05-11 US disclosed
WO-2016055800-A2 FLUORESCENT SYNTHETIC RETINOIDS HIGH FORCE RESEARCH LIMITED (GB) 2016-04-14 WO disclosed
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
US-6310217-B1 ANTIINFLAMMATORY AND ANALGESIC AGENTS MERCKLE GMBH (DE) 2001-10-30 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 (6 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-20170129857-A1 LSD1 Inhibitors KDM1B, KDM1A, KDM3A KDM4E 14/4885ALDH1A1 364/4885PKM 914/4885
US-10759762-B2 Fluorescent synthetic retinoids RARB, RXRB, RXRA KDM4E 3264/4885ALDH1A1 383/4885PKM 4203/4885
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 KDM4E 2525/4885ALDH1A1 499/4885PKM 432/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 KDM4E 2525/4885ALDH1A1 499/4885PKM 432/4885
US-10059668-B2 LSD1 inhibitors KDM1B, KDM1A, KDM3A KDM4E 14/4885ALDH1A1 364/4885PKM 914/4885
US-20170217893-A1 Fluorescent Synthetic Retinoids RARB, RXRB, RXRA KDM4E 3264/4885ALDH1A1 383/4885PKM 4203/4885

“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.