SCHEMBL26316719

SCHEMBL26316719

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCO)cc3)co2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.46
MINK1 Q8N4C8 1/20 0.46
FFAR1 O14842 6/20 0.37
LTA4H P09960 1/20 0.34
EPHX2 P34913 1/20 0.34
CYSLTR1 Q9Y271 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
GRM5 P41594 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 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
SCHEMBL26316800 0.91 ERBB2 (0.50) ERBB2MINK1FFAR1EPHX2CYSLTR1
SCHEMBL6582433 0.91 ERBB2 (0.46) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL6582428 0.91 ERBB2 (0.46) ERBB2MINK1FFAR1LTA4HEPHX2
SCHEMBL26316807 0.90 ERBB2 (0.46) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL26316912 0.90 ERBB2 (0.47) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL26316918 0.88 ERBB2 (0.46) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL26316720 0.88 ERBB2 (0.44) ERBB2MINK1FFAR1GRM5ATP4A
SCHEMBL30632942 0.87 ERBB2 (0.55) ERBB2MINK1FFAR1PPARGPPARA
SCHEMBL22398250 0.87 ERBB2 (0.55) ERBB2MINK1FFAR1PPARGPPARA
SCHEMBL22398248 0.87 ERBB2 (0.55) ERBB2MINK1FFAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 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 (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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 ERBB2 2558/4885MINK1 1781/4885FFAR1 4743/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885FFAR1 4637/4885

“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.