SCHEMBL14640490

SCHEMBL14640490

CCCCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
CTSK P43235 5/20 0.32
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
CTSS P25774 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
APLNR P35414 1/20 0.31
GHSR Q92847 1/20 0.30
CPB2 Q96IY4 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL10039978 0.90 EPHX2 (0.37) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL9914311 0.90 EPHX2 (0.37) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL10039980 0.88 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928439 0.81 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928635 0.80 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928443 0.80 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928437 0.79 EPHX2 (0.35) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL7936516 0.78 CTSK (0.38) CTSKHDAC4HDAC1CTSS
SCHEMBL28700425 0.77 KMT2A (0.36) KMT2AALDH1A1MEN1MAPK1HDAC4
SCHEMBL5229523 0.76 MEN1 (0.41) EPHX2KMT2AALDH1A1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655321-B1 PURIFICATION OF PRECURSOR COMPOUND BY CRYSTALLISATION GE HEALTHCARE LTD (GB) 2017-02-15 EP disclosed
US-9238596-B2 Process simplification for precursor compound GE HEALTHCARE LIMITED (GB) 2016-01-19 US disclosed
US-9061977-B2 Purification of precursor compound by crystallisation GE HEALTHCARE LIMITED (GB) 2015-06-23 US disclosed
US-20130274507-A1 PROCESS SIMPLIFICATION FOR PRECURSOR COMPOUND GE HEALTHCARE LIMITED (GB) 2013-10-17 US disclosed
US-20130267730-A1 PURIFICIATION OF PRECURSOR COMPOUND BY CRYSTALLISATION GE HEALTHCARE LIMITED (GB) 2013-10-10 US disclosed
WO-2007001958-A2 STEREOSELECTIVE SYNTHESIS OF AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 2007-01-04 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-20130274507-A1 PROCESS SIMPLIFICATION FOR PRECURSOR COMPOUND PAICS, FGB, FIP1L1 EPHX2 1406/4885KMT2A 3638/4885ALDH1A1 1462/4885
US-20130267730-A1 PURIFICIATION OF PRECURSOR COMPOUND BY CRYSTALLISATION RFC1, PAICS, RFC2 EPHX2 2847/4885KMT2A 4579/4885ALDH1A1 2720/4885

“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.