SCHEMBL22837261

SCHEMBL22837261

C[C@H]1CCCc2cc(C=O)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A3 P47895 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
MAOB P27338 1/20 0.34
TSHR P16473 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL25366917 0.83 ALDH1A1 (0.41) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL7478331 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL29942408 0.77 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL7512041 0.77 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL1525801 0.77 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL1525600 0.77 ALDH1A1 (0.53) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL5958010 0.75 ALDH1A1 (0.51) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL10683761 0.75 PNMT (0.49)
SCHEMBL13698962 0.75 BRD4 (0.40) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL16175613 0.73 OPRK1 (0.57) ALDH1A1MAPTDRD2DRD3KDM4E

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-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL CORPORATION (JP) 2020-12-29 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-10874645-B2 Isoxazoline-substituted benzamide compound and pesticide C3AR1, C5, C9 ALDH1A1 3404/4885MAPT 4834/4885MEN1 1558/4885

“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.