SCHEMBL20288249

SCHEMBL20288249

CC(C)C1=C(C(C)C)C(=O)OC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PTPN1 P18031 1/20 0.33
▸ IDO1 P14902 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CES2 O00748 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ TDP2 O95551 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HSPD1 P10809 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
SCHEMBL15613851 0.70 — —
SCHEMBL13562165 0.67 PTGES (0.43) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL16146464 0.66 — —
SCHEMBL16476956 0.66 — —
SCHEMBL14345128 0.64 PTPN1 (0.36) PTPN1
SCHEMBL76598 0.63 — —
SCHEMBL1331203 0.62 — —
SCHEMBL20245540 0.61 MEN1 (0.57) MEN1THRBKMT2AGAAIDO1
SCHEMBL20347496 0.61 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL17625111 0.60 MEN1 (0.40) MEN1THRBKMT2AGAAPTPN1

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-20180170891-A1 4H-Pyran Compounds as Insulin-Regulated Aminopeptidase (IRAP) Inhibitors MONASH UNIVERSITY (AU) 2018-06-21 — — 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 (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-20180170891-A1 4H-Pyran Compounds as Insulin-Regulated Aminopeptidase (IRAP) Inhibitors IAPP, ENPEP, DNPEP MEN1 3983/4885THRB 1213/4885KMT2A 1612/4885

“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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