SCHEMBL9966158

SCHEMBL9966158

CCOC(C)OC(=O)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.45
NAAA Q02083 2/20 0.41
HTT P42858 4/20 0.41
CYP19A1 P11511 2/20 0.37
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL19237014 0.85 EPHX1 (0.40) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL14505176 0.81 EPHX1 (0.39) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL13130088 0.81 EPHX1 (0.41) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL28499766 0.80 NAAA (0.42) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL24023313 0.80 EPHX1 (0.41) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL18895904 0.80 EPHX1 (0.41) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL20207259 0.80 NAAA (0.49) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2986206 0.79 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2983911 0.79 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL5986431 0.79 EPHX1 (0.40) EPHX1NAAAHTTCYP19A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555041-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-31 US disclosed
US-20160184316-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-30 US disclosed
US-20120308587-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-20120308588-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 US 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-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE EPHX1 641/4885NAAA 227/4885HTT 381/4885
US-20120308588-A1 NEPRILYSIN INHIBITORS MME, REN, ACE EPHX1 916/4885NAAA 159/4885HTT 455/4885
US-20120308587-A1 NEPRILYSIN INHIBITORS MME, REN, ACE EPHX1 904/4885NAAA 265/4885HTT 452/4885
US-20120157383-A1 NEPRILYSIN INHIBITORS MME, REN, ACE EPHX1 641/4885NAAA 227/4885HTT 381/4885

“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.