SCHEMBL21867108

SCHEMBL21867108

CC(C)OC(=O)c1ccc2c(c1)C(=O)N(CCCS(=O)(=O)O)C2=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TSHR P16473 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL22193375 0.82 FNTA (0.50) ALDH1A1HSD17B10TSHRCA1CA2
SCHEMBL22193347 0.79 FNTA (0.49) ALDH1A1HSD17B10TSHRCA1CA2
SCHEMBL22193376 0.78 ALDH1A1 (0.46) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL21867107 0.78 MAPT (0.45) ALDH1A1MAPTALOX15CASP1CASP7
SCHEMBL22193381 0.76 ALDH1A1 (0.45) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL13913061 0.76 KDM4E (0.67) ALDH1A1MAPTALOX15CASP1CASP7
SCHEMBL25771250 0.74 ALDH1A1 (0.62) ALDH1A1MAPTALOX15CASP1CASP7
SCHEMBL10553025 0.74 ALDH1A1 (0.56) ALDH1A1MAPTALOX15CASP1CASP7
SCHEMBL14023220 0.72 KDM4E (0.61) ALDH1A1CA1CA2CA9MEN1
SCHEMBL918303 0.72 TDP1 (0.51) MAPTSMN1; SMN2

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-20200115382-A1 CURABLE COMPOSITION, CURED FILM, OPTICAL FILTER, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, INFRARED SENSOR, DISPERSING AUXILIARY AGENT, DISPERSION, AND METHOD OF MANUFACTURING DISPERSION FUJIFILM CORPORATION (JP) 2020-04-16 — — 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-20200115382-A1 CURABLE COMPOSITION, CURED FILM, OPTICAL FILTER, SOLID IMAGE PICKUP ELEMENT, IMAGE DISPLAY DEVICE, INFRARED SENSOR, DISPERSING AUXILIARY AGENT, DISPERSION, AND METHOD OF MANUFACTURING DISPERSION PRKG2, PRKD1, PRKG1 ALDH1A1 2778/4885MAPT 1675/4885ALOX15 4514/4885

“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.

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