SCHEMBL18704292

SCHEMBL18704292

CC(C)(C/C=C/CBr)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.41
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL18704294 1.00 ACLY (0.41) ACLYTSHRALDH1A1ACACBACACA
SCHEMBL23217912 0.88 ACLY (0.48) ACLYTSHRALDH1A1ACACBACACA
SCHEMBL23217911 0.88 ACLY (0.48) ACLYTSHRALDH1A1ACACBACACA
SCHEMBL132109 0.76 ACLY (0.43) ACLYTSHRALDH1A1ACACBACACA
SCHEMBL20533115 0.76 ACLY (0.43) ACLYTSHRALDH1A1ACACBACACA
SCHEMBL132112 0.76 ACLY (0.43) ACLYTSHRALDH1A1ACACBACACA
SCHEMBL10584864 0.76 ACLY (0.48) ACLYCYP2C19
SCHEMBL10584851 0.76 ACLY (0.48) ACLYCYP2C19
SCHEMBL28598936 0.75 CYP4F2 (0.44) TSHRALDH1A1CYP2C19
SCHEMBL2882121 0.74 ALDH1A1 (0.48) ACLYALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373948-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Astellas Engineered Small Molecules US, Incorporated 2023-11-23 US disclosed
US-11578052-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2023-02-14 US disclosed
EP-3359528-B1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE INC (US) 2022-01-12 EP disclosed
US-20210253549-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2021-08-19 US disclosed
EP-3795566-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Mitobridge, Inc. (US) 2021-03-24 EP disclosed
US-10906885-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2021-02-02 US disclosed
EP-3770146-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Mitobridge, Inc. (US) 2021-01-27 EP disclosed
US-20200157074-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2020-05-21 US disclosed
US-10479775-B1 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2019-11-19 US disclosed
US-20190337920-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2019-11-07 US disclosed
US-10399958-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2019-09-03 US disclosed
US-20190084958-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2019-03-21 US disclosed
WO-2017062468-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-04-13 WO 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 (9 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-20200157074-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ACLY 479/4885TSHR 781/4885ALDH1A1 1587/4885
US-20190337920-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ACLY 479/4885TSHR 781/4885ALDH1A1 1587/4885
US-10479775-B1 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA ACLY 479/4885TSHR 781/4885ALDH1A1 1587/4885
US-20210253549-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ACLY 479/4885TSHR 781/4885ALDH1A1 1587/4885
US-20190084958-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARA, PPARD ACLY 520/4885TSHR 850/4885ALDH1A1 2027/4885
US-10399958-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARA, PPARD ACLY 520/4885TSHR 850/4885ALDH1A1 2027/4885
US-20230373948-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA ACLY 479/4885TSHR 781/4885ALDH1A1 1587/4885
US-10906885-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA ACLY 479/4885TSHR 781/4885ALDH1A1 1587/4885
US-11578052-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA ACLY 479/4885TSHR 781/4885ALDH1A1 1587/4885

“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.