SCHEMBL10124327

SCHEMBL10124327

Cc1cc(C(C)(C)C)c(F)s1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
CA1 P00915 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPN P05981 1/20 0.31
SIRT5 Q9NXA8 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
SCHEMBL21720254 0.78 MAPT (0.35) CA2ALDH1A1SMN1; SMN2POLBTYR
SCHEMBL14817559 0.75 ALDH1A1 (0.37) CA2ALDH1A1SMN1; SMN2POLBTYR
SCHEMBL21721320 0.74 MAPT (0.32) CA2ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL21721636 0.74 MAPT (0.32) CA2ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL21737619 0.74 MAPT (0.32) CA2ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL24417649 0.73 ALDH1A1 (0.36) CA2ALDH1A1SMN1; SMN2POLBTYR
SCHEMBL21720142 0.73
SCHEMBL21720146 0.71 SMN1; SMN2 (0.34) CA2ALDH1A1SMN1; SMN2POLBTYR
SCHEMBL20844193 0.71 ALDH1A1 (0.34) CA2ALDH1A1SMN1; SMN2POLBTYR
SCHEMBL21721251 0.71 CA1 (0.41) CA2ALDH1A1SMN1; SMN2CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9144571-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2015-09-29 US disclosed
US-20150238470-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2015-08-27 US disclosed
US-9045469-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2015-06-02 US disclosed
US-20140371264-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2014-12-18 US disclosed
US-8853404-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-20140080863-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2014-03-20 US disclosed
US-8575347-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2013-11-05 US disclosed
US-20130030015-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-8309572-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2012-11-13 US disclosed
US-20120157491-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
US-7598267-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-10-06 US disclosed
US-7498440-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20070173646-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-07-26 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 (8 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-20140080863-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 CA2 971/4885ALDH1A1 2948/4885SMN1; SMN2 2627/4885
US-20130030015-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 CA2 971/4885ALDH1A1 2948/4885SMN1; SMN2 2627/4885
US-20070173646-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 CA2 971/4885ALDH1A1 2948/4885SMN1; SMN2 2627/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CA2 3320/4885ALDH1A1 894/4885SMN1; SMN2 3624/4885
US-20140371264-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 CA2 971/4885ALDH1A1 2948/4885SMN1; SMN2 2627/4885
US-20150238470-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 CA2 1177/4885ALDH1A1 2768/4885SMN1; SMN2 2680/4885
US-20120157491-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRNG, CHRM2 CA2 971/4885ALDH1A1 2948/4885SMN1; SMN2 2627/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CA2 3320/4885ALDH1A1 894/4885SMN1; SMN2 3624/4885

“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.