SCHEMBL20066468

SCHEMBL20066468

CC(C)(OCCN1CCOCC1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TRPV4 Q9HBA0 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
NPSR1 Q6W5P4 1/20 0.51
EGFR P00533 1/20 0.47
GAA P10253 1/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
LTA4H P09960 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRCP P42785 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL26419124 0.78 MEN1 (0.59) ALDH1A1TRPV4MEN1KMT2ANPSR1
Promolate SCHEMBL1813845 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL20347267 0.78 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL11608795 0.77 ALDH1A1 (0.55) ALDH1A1TRPV4MEN1KMT2ANPSR1
SCHEMBL20347161 0.76 L3MBTL1 (0.53) ALDH1A1TRPV4MEN1KMT2ANPSR1
SCHEMBL874424 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL20350638 0.76 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPSR1EGFR
SCHEMBL24838285 0.74 TRPV4 (0.50) ALDH1A1TRPV4MEN1KMT2ANPSR1
Oxalic Acid SCHEMBL11606518 0.74 ALDH1A1 (0.51) ALDH1A1TRPV4MEN1KMT2AEGFR
SCHEMBL12447235 0.74 KMT2A (0.54) ALDH1A1TRPV4MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105503-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-19 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 (1 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-20180105503-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 3597/4885TRPV4 3141/4885MEN1 791/4885

“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.