SCHEMBL18411032

SCHEMBL18411032

CCC(C)(C)OC(C)OC(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.41
▸ NAAA Q02083 2/20 0.38
▸ CYP19A1 P11511 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL9963862 0.84 SMN1; SMN2 (0.38) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL24023300 0.81 EPHX1 (0.40) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL9966158 0.78 EPHX1 (0.45) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL5542628 0.77 CYP19A1 (0.42) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL13130088 0.76 EPHX1 (0.41) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL28499766 0.75 NAAA (0.42) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL20207259 0.75 NAAA (0.49) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL5512762 0.75 CYP19A1 (0.40) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL24023313 0.75 EPHX1 (0.41) EPHX1NAAACYP19A1HTTCYP2C19
SCHEMBL18895904 0.75 EPHX1 (0.41) EPHX1NAAACYP19A1HTTCYP2C19

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-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 — — US disclosed
US-20180051023-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-02-22 — — US disclosed
US-9828367-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-28 — — US disclosed
US-9724359-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-08 — — US disclosed
US-20170020904-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-26 — — 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 (3 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-20170020904-A1 NEPRILYSIN INHIBITORS MME, REN, ACE EPHX1 607/4885NAAA 256/4885CYP19A1 2679/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE EPHX1 641/4885NAAA 227/4885CYP19A1 2857/4885
US-20180051023-A1 NEPRILYSIN INHIBITORS MME, REN, EDNRB EPHX1 974/4885NAAA 142/4885CYP19A1 2592/4885

“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.

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