SCHEMBL62325

SCHEMBL62325

O=C(CCCc1ccccc1)OCCNC(=O)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.72
KMT2A Q03164 6/20 0.67
MEN1 O00255 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
CYP3A4 P08684 2/20 0.61
CYP1A2 P05177 1/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
PKM P14618 1/20 0.56
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTAFR P25105 1/20 0.53

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
SCHEMBL2076013 0.84 EPHX2 (0.54) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4182430 0.84 EPHX2 (1.00) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL9011202 0.84 EPHX2 (0.67) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5553310 0.83 EPHX2 (0.92) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL21946074 0.83 KMT2A (0.66) KMT2AMEN1SMN1; SMN2NPC1CYP3A4
SCHEMBL2129716 0.81 RAB9A (1.00) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL30969954 0.81 RAB9A (1.00) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5358937 0.80 USP2 (0.81) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL25948339 0.80 EPHX2 (0.85) EPHX2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL8724820 0.79 KMT2A (0.58) EPHX2KMT2AMEN1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP claimed
US-7906496-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2011-03-15 US claimed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US claimed
CN-101268039-A Novel carboxylic acid derivatives DSM IP ASSETS BV (NL) 2008-09-17 CN claimed
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP claimed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO claimed
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP disclosed
EP-1926703-B1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS BV (NL) 2013-01-09 EP disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-8129562-B2 Carboxylic acid derivatives DSM IP ASSETS B.V. (NL) 2012-03-06 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. 2011-05-26 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
US-20090258887-A1 Novel Carboxylic Acid Derivatives DSM ASSETS B.V. (NL) 2009-10-15 US disclosed
CN-101268039-A Novel carboxylic acid derivatives DSM IP ASSETS BV (NL) 2008-09-17 CN disclosed
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 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 (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-20090258887-A1 Novel Carboxylic Acid Derivatives AADAC, ALDH7A1, DDC EPHX2 670/4885KMT2A 1673/4885MEN1 4704/4885
US-20110124726-A1 NOVEL CARBOXYLIC ACID DERIVATIVES AADAC, ALDH7A1, ALDH18A1 EPHX2 887/4885KMT2A 1664/4885MEN1 4641/4885

“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.