SCHEMBL20280355

SCHEMBL20280355

CCN(CC1CC1)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
ALOX5 P09917 1/20 0.36
MLYCD O95822 1/20 0.35
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 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
SCHEMBL17471259 0.82 CA12 (0.41) ALDH1A1PKMALOX5MLYCD
SCHEMBL24370474 0.81 MAPT (0.35) ALDH1A1PKMMLYCDHTR1AGAA
SCHEMBL21789349 0.79 ALOX5 (0.33) ALDH1A1PKMALOX5MLYCD
SCHEMBL3200366 0.78 LMNA (0.42) ALDH1A1MLYCDHTR1AGAAKDM4E
SCHEMBL17472047 0.77 ALDH1A1 (0.41) ALDH1A1PKMALOX5MLYCD
SCHEMBL21789494 0.77 MLYCD (0.37) ALDH1A1PKMALOX5MLYCD
SCHEMBL3482612 0.76 ALOX5 (0.39) ALOX5SLC6A2SLC6A4
SCHEMBL8293473 0.75 DPP4 (0.41) ALDH1A1PKMALOX5KDM4ESLC6A2
SCHEMBL3483157 0.74 ALOX5 (0.41) ALOX5
SCHEMBL16160767 0.73 ALOX5 (0.38) ALOX5KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 WO disclosed
US-10550071-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-02-04 US disclosed
US-20180170857-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 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 (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-20180170857-A1 PPAR AGONISTS PPARG, PPARD, PPARA ALDH1A1 1664/4885PKM 689/4885ALOX5 1164/4885
US-10550071-B2 PPAR agonists PPARG, PPARD, PPARA ALDH1A1 1664/4885PKM 689/4885ALOX5 1164/4885

“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.