SCHEMBL4452640

SCHEMBL4452640

COC(=O)CC(O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP2 P08253 2/20 0.40
CA9 Q16790 2/20 0.40
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL27512417 1.00 EPHX2 (0.46) EPHX2TP53KDM4EGMNNLMNA
SCHEMBL6681095 0.90 TSHR (0.44) EPHX2TP53KDM4ELMNAMAPT
SCHEMBL10523056 0.81 EPHX2 (0.49) EPHX2TP53KDM4EGMNNLMNA
SCHEMBL13681637 0.81 CYP2D6 (0.47) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5682017 0.81 CYP2D6 (0.47) TP53KDM4EGMNNLMNAMAPT
SCHEMBL17865084 0.81 EPHX2 (0.46) EPHX2TP53SMN1; SMN2NPSR1CA12
SCHEMBL4821191 0.79 EPHX2 (0.45) EPHX2TP53NPSR1CA12CA1
SCHEMBL7233413 0.79 TSHR (0.34)
SCHEMBL14111950 0.78 CTSK (0.41) EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL5523650 0.78 EPHX2 (0.44) EPHX2TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103539640-A Butylene type liquid crystal compound and preparation method of same YANTAI VALIANT FINE CHEMICALS CO LTD 2014-01-29 CN disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 WO disclosed
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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 (4 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 EPHX2 1399/4885TP53 2563/4885KDM4E 4314/4885
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 EPHX2 1390/4885TP53 3139/4885KDM4E 4215/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 EPHX2 1206/4885TP53 2060/4885KDM4E 4239/4885
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885TP53 3408/4885KDM4E 905/4885

“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.