SCHEMBL6697529

SCHEMBL6697529

CCC[C@](C)(O)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.47
CA1 P00915 3/20 0.40
ALDH1A1 P00352 3/20 0.38
TACR1 P25103 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
CETP P11597 3/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL7690218 1.00 KDM4E (0.49) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL13557891 0.87 KDM4E (0.56) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL11354803 0.86 KDM4E (0.49) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL29108644 0.83 KDM4E (0.46) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL7260873 0.82 KDM4E (0.61) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL21843009 0.80 KDM4E (0.53) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL95926 0.80 KDM4E (0.56) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL7405277 0.79 KDM4E (0.45) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL11386587 0.79 KDM4E (0.45) KDM4EPOLBTSHRCA1ALDH1A1
SCHEMBL7405279 0.79 KDM4E (0.45) KDM4EPOLBTSHRCA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US claimed
US-6831096-B2 Effective against both A and B forms of influenza; oral bioavailability ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20040097471-A1 Inhibitors of neuraminidases ABBVIE INC. 2004-05-20 US disclosed
EP-1358154-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES Abbott Laboratories (US) 2003-11-05 EP disclosed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
US-6518305-B1 For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase ABBOTT LABORATORIES 2003-02-11 US disclosed
US-6455571-B1 ESPECIALLY, INFLUENZA NEURAMINIDASE. ABBOTT LABORATORIES 2002-09-24 US disclosed
WO-2001028979-A2 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
WO-2001028996-A2 PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 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-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 KDM4E 1601/4885POLB 2086/4885TSHR 762/4885
US-20040097471-A1 Inhibitors of neuraminidases NEU1, NEU2, NEU4 KDM4E 4411/4885POLB 940/4885TSHR 1226/4885

“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.