SCHEMBL2486594

SCHEMBL2486594

COC(=O)C=Cc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 1.00
ALDH1A1 P00352 8/20 1.00
GAA P10253 1/20 0.64
MAPT P10636 5/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
APP P05067 1/20 0.63
HPGD P15428 3/20 0.62
ABCG2 Q9UNQ0 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TRPM8 Q7Z2W7 1/20 0.60
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL30259471 1.00 KDM4E (1.00) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL2486592 1.00 KDM4E (1.00) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL30970380 0.91 KDM4E (0.83) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL6071506 0.91 KDM4E (0.83) KDM4EALDH1A1GAAMAPTRAB9A
Methyl Piperate SCHEMBL2328493 0.90 KDM4E (0.82) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
Methyl Piperate SCHEMBL3244271 0.90 KDM4E (0.82) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL1232592 0.86 KDM4E (0.75) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL1232591 0.86 KDM4E (0.75) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL3565700 0.84 KDM4E (0.72) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL34468091 0.84 KDM4E (0.72) KDM4EALDH1A1GAAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585850-B2 Methods of treatment using arylcyclopropylamine compounds DUKE UNIVERSITY (US) 2017-03-07 US disclosed
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2015-09-17 US disclosed
US-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY 2014-11-20 US disclosed
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS DUKE UNIVERSITY (US) 2013-07-11 US disclosed
EP-2061452-B1 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-26 EP disclosed
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-01-14 US disclosed
EP-2061452-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES Piramal Life Sciences Limited (IN) 2009-05-27 EP disclosed
WO-2008026125-A2 ANTI CANCER USE OF CAFFEIC ACID AND DERIVATIVES PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-06 WO disclosed
EP-0526535-B1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE ORION YHTYMAE OY (FI) 1995-09-27 EP disclosed
US-5356923-A 1-hydroxy-4(3-cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone and anti-hypertensive use thereof ORION-YHTYMA OY (FI) 1994-10-18 US disclosed
EP-0526535-A1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE. ORION YHTYMAE OY (FI) 1993-02-10 EP disclosed
WO-1991016303-A1 CYCLIC HYDROXAMIC ACIDS AND THEIR USE Orion-Yhtymä Oy (FI) 1991-10-31 WO disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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-20140343118-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS BRCA1, NAT1, AADAC KDM4E 1216/4885ALDH1A1 1740/4885GAA 2790/4885
US-20150258044-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM4E 3433/4885ALDH1A1 2159/4885GAA 130/4885
US-20100010002-A1 ANTICANCER USE OF CAFFEIC ACID AND ITS DERIVATIVES ABL1, MCL1, SRC KDM4E 232/4885ALDH1A1 202/4885GAA 792/4885
US-20130178520-A1 METHODS OF TREATMENT USING ARYLCYCLOPROPYLAMINE COMPOUNDS SNCA, PARK7, PNMT KDM4E 3433/4885ALDH1A1 2159/4885GAA 130/4885

“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.