SCHEMBL2079645

SCHEMBL2079645

CCOc1cc[c]c(OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
PARP10 Q53GL7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
NQO1 P15559 1/20 0.36
EPHX1 P07099 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL1451590 0.84 LMNA (0.47) KDM4EKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2077524 0.81 BACE1 (0.44) KMT2ASMN1; SMN2ALDH1A1MEN1LMNA
SCHEMBL128388 0.81 NQO1 (0.46) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL721489 0.78 NQO1 (0.43) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL9725912 0.75 NQO1 (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7083421 0.75 LMNA (0.44) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2079650 0.74 LMNA (0.47) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8135198 0.74 SRD5A2 (0.38) KMT2AALDH1A1MEN1LMNAMAPK1
SCHEMBL20703535 0.73 NQO1 (0.43) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL20703487 0.73 NQO1 (0.43) KMT2AALDH1A1MEN1TDP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP claimed
US-8163751-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 US claimed
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-22 US claimed
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-12 US claimed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP claimed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US claimed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
EP-1373191-B1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2013-06-05 EP disclosed
US-8163751-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 US disclosed
EP-1534277-B1 ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-14 EP disclosed
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-22 US disclosed
US-7713963-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-11 US disclosed
EP-1534275-B1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed
WO-2004014369-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388341-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP disclosed
EP-1388535-A1 Acylated arylcycloalkylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP disclosed
EP-1388342-A1 Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 EP disclosed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO 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 (3 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-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA KDM4E 761/4885KMT2A 1586/4885SMN1; SMN2 1284/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB KDM4E 569/4885KMT2A 1270/4885SMN1; SMN2 1260/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA KDM4E 802/4885KMT2A 1581/4885SMN1; SMN2 1265/4885

“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.