SCHEMBL21720146

SCHEMBL21720146

Cc1cc(C(C)(C)C)c(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
DAO P14920 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.33
CA1 P00915 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
SCHEMBL10257486 0.78 PKM (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14817559 0.75 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL21720526 0.74 KDM4E (0.32) SMN1; SMN2ALDH1A1CA2CYP1A2KDM4E
SCHEMBL21721324 0.74 KDM4E (0.32) SMN1; SMN2ALDH1A1CA2CYP1A2KDM4E
SCHEMBL24417649 0.73 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL21720150 0.73
SCHEMBL20844193 0.71 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL10124327 0.71 CA2 (0.34) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL21721317 0.71 CA1 (0.36) SMN1; SMN2ALDH1A1CA2CYP1A2KDM4E
SCHEMBL144413 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (3 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 SMN1; SMN2 4331/4885ALDH1A1 2765/4885CA2 4222/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885ALDH1A1 894/4885CA2 3320/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK SMN1; SMN2 3624/4885ALDH1A1 894/4885CA2 3320/4885

“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.