SCHEMBL2810358

SCHEMBL2810358

COC(=O)CNCC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.49
EPHX1 P07099 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
POLB P06746 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL22096239 0.98 EPHX2 (0.51) EPHX2EPHX1KDM4EADH1BADH1C
SCHEMBL4662750 0.98 EPHX2 (0.51) EPHX2EPHX1KDM4EADH1BADH1C
SCHEMBL9544427 0.98 EPHX2 (0.51) EPHX2EPHX1KDM4EADH1BADH1C
SCHEMBL4743149 0.91 EPHX2 (0.43) EPHX2KDM4ETDP1KMT2ATET2
SCHEMBL6825407 0.82 GAA (0.45) EPHX2EPHX1KDM4EADH1BADH1C
SCHEMBL9542868 0.81 EPHX2 (0.51) EPHX2EPHX1KDM4EPOLBALDH1A1
SCHEMBL7333520 0.81 KDM4E (0.46) EPHX2EPHX1KDM4EADH1BADH1C
SCHEMBL868953 0.80 BRD4 (0.47) EPHX2EPHX1POLBTDP1ALDH1A1
SCHEMBL6380333 0.80 KDM4E (0.43) EPHX2EPHX1KDM4EADH1BADH1C
SCHEMBL106265 0.78 KMT2A (0.50) EPHX2EPHX1KDM4EPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 WO disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 EPHX2 2031/4885EPHX1 1057/4885KDM4E 3330/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 EPHX2 1389/4885EPHX1 714/4885KDM4E 4021/4885

“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.