SCHEMBL24013235

SCHEMBL24013235

COC(=O)C1=CCCC1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
CHRM3 P20309 2/20 0.38
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
TSHR P16473 3/20 0.37
ATM Q13315 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
THRB P10828 1/20 0.37
CHRM1 P11229 1/20 0.37
TLR4 O00206 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36

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
SCHEMBL30989570 0.80 KCNH2 (0.44) KCNH2CHRM3ALDH1A1HSD17B10KDM4E
SCHEMBL2784270 0.79 TLR4 (0.45) KDM4ETSHRLMNATLR4TP53
SCHEMBL13618463 0.77 KCNH2 (0.41) KCNH2CHRM3ALDH1A1HSD17B10KDM4E
SCHEMBL19114404 0.74 KCNH2 (0.39) KCNH2ALDH1A1HSD17B10KDM4EGAA
SCHEMBL8782061 0.74
SCHEMBL23417814 0.73 KCNH2 (0.41) KCNH2CHRM3ALDH1A1HSD17B10KDM4E
SCHEMBL24411147 0.72 KCNH2 (0.41) KCNH2CHRM3ALDH1A1HSD17B10KDM4E
SCHEMBL2741872 0.72 KCNH2 (0.41) KCNH2CHRM3ALDH1A1HSD17B10KDM4E
SCHEMBL24411156 0.72 KCNH2 (0.41) KCNH2CHRM3ALDH1A1HSD17B10KDM4E
SCHEMBL31174918 0.72 KCNH2 (0.41) KCNH2CHRM3ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174551-A1 CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF SE (DE) 2023-06-08 US disclosed
US-20230174551-A1 CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF SE (DE) 2023-06-08 US disclosed
WO-2021224040-A1 CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF SE (DE) 2021-11-11 WO disclosed
CN-101130552-B Process for preparing the antiviral agent [1s-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one BRISTOL MYERS SQUIBB CO 2010-07-28 CN 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-20230174551-A1 CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES HAX1, GLRX3, CBR3 KCNH2 123/4885CHRM3 391/4885ALDH1A1 920/4885

“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.