SCHEMBL21718876

SCHEMBL21718876

CC(C)(C)c1ccc(O)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 3/20 0.50
LMNA P02545 3/20 0.50
MIF P14174 2/20 0.50
CYP2C9 P11712 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TYR P14679 2/20 0.50
NR1I2 O75469 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
AR P10275 6/20 0.42
ESR2 Q92731 7/20 0.39
ESR1 P03372 6/20 0.39
NAMPT P43490 1/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38

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
SCHEMBL30898343 0.80 AR (0.59) AR
SCHEMBL11724576 0.78 KIF11 (0.44) ALDH1A1ARCYP1A2CA9CYP2C19
SCHEMBL12180588 0.78 AR (0.43) ALDH1A1TYRARSMN1; SMN2TSHR
SCHEMBL13945796 0.78 KIF11 (0.44) ALDH1A1ALOX15HSD17B10NR1I2HTT
SCHEMBL16955474 0.77 AR (0.37) ALDH1A1ALOX15LMNACYP2C9HSD17B10
SCHEMBL16956905 0.76 AR (0.35) ARTSHR
SCHEMBL21718897 0.76 AR (0.35) ARTSHR
SCHEMBL19169604 0.76 AR (0.41) ARMAPTKDM4ECYP3A4TSHR
SCHEMBL397540 0.76 KDM4E (0.52) ALDH1A1LMNACYP2C9HSD17B10AR
SCHEMBL30279017 0.76 KDM4E (0.52) ALDH1A1LMNACYP2C9HSD17B10AR

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 6 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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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 (6 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 ALDH1A1 525/4885ALOX15 1464/4885LMNA 3904/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP ALDH1A1 814/4885ALOX15 1167/4885LMNA 2399/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885ALOX15 733/4885LMNA 2672/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885ALOX15 733/4885LMNA 2672/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALDH1A1 525/4885ALOX15 1464/4885LMNA 3904/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP ALDH1A1 814/4885ALOX15 1167/4885LMNA 2399/4885

“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.