SCHEMBL13902888

SCHEMBL13902888

NNC(=O)CCCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LTA4H P09960 1/20 0.45
HDAC3 O15379 2/20 0.44
TSHR P16473 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MEN1 O00255 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
SCHEMBL17390846 0.95 EPHX2 (0.59) EPHX2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11082223 0.90 CYP1A2 (0.51) EPHX2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8427922 0.84 EPHX2 (0.53) EPHX2GAAKMT2AHTTSMN1; SMN2
SCHEMBL2079376 0.83 TSHR (0.50) EPHX2L3MBTL1HTTSMN1; SMN2TSHR
SCHEMBL17117263 0.83 GAA (0.70) EPHX2CYP3A4CYP2C19L3MBTL1GAA
SCHEMBL3356126 0.82 SMN1; SMN2 (0.58) EPHX2L3MBTL1KMT2ASMN1; SMN2TAAR1
SCHEMBL20818936 0.81 EPHX2 (0.51) EPHX2CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL16620624 0.81 TAAR1 (0.57) EPHX2L3MBTL1GAAKMT2AHTT
SCHEMBL291194 0.81 SMN1; SMN2 (0.57) EPHX2HTTSMN1; SMN2HDAC3TSHR
SCHEMBL8247495 0.80 SMN1; SMN2 (0.52) EPHX2GAAHTTSMN1; SMN2

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-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 EP disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 US disclosed
US-9487516-B2 Antibacterial oxadiazolone derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2016-11-08 US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 US disclosed
EP-2986607-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-02-24 EP disclosed
US-20150353547-A1 Antibacterial Oxadiazolone Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-10 US disclosed
EP-2943492-A1 ANTIBACTERIAL OXADIAZOLONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-11-18 EP disclosed
WO-2014170821-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-23 WO disclosed
WO-2014108836-A1 ANTIBACTERIAL OXADIAZOLONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-07-17 WO disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 US disclosed
CN-101128413-A Substituted oxyarenes BAYER CROPSCIENCE AG (DE) 2008-02-20 CN disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 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 (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-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS EPHX2 2617/4885CYP1A2 644/4885CYP3A4 285/4885
US-20150353547-A1 Antibacterial Oxadiazolone Derivatives OXA1L, PYM1, XDH EPHX2 2830/4885CYP1A2 681/4885CYP3A4 712/4885
US-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD EPHX2 210/4885CYP1A2 452/4885CYP3A4 649/4885

“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.