SCHEMBL3326503

SCHEMBL3326503

COC(=O)CC1CCC2CCCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ALOX5 P09917 1/20 0.38
EPHX2 P34913 5/20 0.37
NPSR1 Q6W5P4 1/20 0.36
OPRL1 P41146 1/20 0.34
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
TLR4 O00206 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL27324700 0.91 BRD4 (0.42) BRD4EPHX2NPSR1ALDH1A1KMT2A
SCHEMBL10519951 0.87 BRD4 (0.42) BRD4EPHX2NPSR1ALDH1A1KDM4E
SCHEMBL14599397 0.87 BRD4 (0.44) BRD4EPHX2CYP3A4ALDH1A1KDM4E
SCHEMBL27840927 0.84 CYP3A4 (0.44) BRD4CYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL9174869 0.83 EPHX2 (0.43) ALOX5EPHX2ALDH1A1KMT2ATSHR
SCHEMBL10455924 0.83 KMT2A (0.39) ALOX5EPHX2ALDH1A1KMT2AL3MBTL1
SCHEMBL9174861 0.83 EPHX2 (0.43) ALOX5EPHX2ALDH1A1KMT2ATSHR
SCHEMBL10093470 0.79 CHRNB2 (0.44) BRD4EPHX2NPSR1ALDH1A1KMT2A
SCHEMBL14678837 0.79 CHRNB2 (0.44) BRD4EPHX2NPSR1ALDH1A1KMT2A
SCHEMBL10093500 0.79 CHRNB2 (0.44) BRD4EPHX2NPSR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868964-B1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2016-11-23 EP disclosed
EP-1868964-B1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2016-11-23 EP disclosed
US-8692022-B2 Hydrogenation of esters with Ru/bidentate ligands complexes FIRMENICH SA (CH) 2014-04-08 US disclosed
US-8692022-B2 Hydrogenation of esters with Ru/bidentate ligands complexes FIRMENICH SA (CH) 2014-04-08 US disclosed
US-20100280273-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2010-11-04 US disclosed
US-20100280273-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2010-11-04 US disclosed
US-20100280273-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2010-11-04 US disclosed
US-7763758-B2 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2010-07-27 US disclosed
US-7763758-B2 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2010-07-27 US disclosed
US-7763758-B2 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2010-07-27 US disclosed
US-20100130754-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA 2010-05-27 US disclosed
US-20100130754-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA 2010-05-27 US disclosed
US-20100130754-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA 2010-05-27 US disclosed
US-20080071121-A1 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2008-03-20 US disclosed
US-20080071121-A1 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2008-03-20 US disclosed
US-20080071121-A1 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2008-03-20 US disclosed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN 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-20100130754-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C BRD4 104/4885ALOX5 1380/4885EPHX2 1313/4885
US-20080071121-A1 Complex containing amino or imino groups with phosphino group ADH1C, ADH5, PHOSPHO1 BRD4 276/4885ALOX5 1629/4885EPHX2 1539/4885
US-20100280273-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C BRD4 104/4885ALOX5 1380/4885EPHX2 1313/4885

“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.