SCHEMBL19656676

SCHEMBL19656676

CC(C)(C)c1c[nH]c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KIF11 P52732 1/20 0.31
POLB P06746 1/20 0.31
HTR1D P28221 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL891125 0.74 HMBS (0.46) GABRA1GABRB2POLBHTR1DALDH1A1
SCHEMBL15043758 0.73 ALDH1A1 (0.34) HTR1DALDH1A1HPGDNPC1HSP90AA1
SCHEMBL2704151 0.72 GABRA1 (0.40) GABRA1GABRB2POLBHTR1DALDH1A1
SCHEMBL23987231 0.70 GABRA1 (0.33) GABRA1GABRB2POLBHTR1DALDH1A1
SCHEMBL21719660 0.70 GABRA1 (0.33) GABRA1GABRB2POLBHTR1DALDH1A1
SCHEMBL21719649 0.70 GABRA1 (0.33) GABRA1GABRB2POLBHTR1DALDH1A1
SCHEMBL25593219 0.70 GABRA1 (0.33) GABRA1GABRB2POLBHTR1DALDH1A1
SCHEMBL21719434 0.67 ALDH1A1 (0.33) GABRA1GABRB2ALDH1A1
SCHEMBL891025 0.67 POLB (0.33) GABRA1GABRB2POLBHTR1D
SCHEMBL13452295 0.67 DAO (0.39) GABRA1GABRB2POLBHTR1DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP 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-10763449-B2 Organic light-emitting diode (OLED) display panel, fabrication method and electronic device thereof Shanghai Tianma AM-OLED Co., Ltd. (CN) 2020-09-01 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP 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
WO-2019059161-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HAVING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2019-03-28 WO disclosed
US-20170346032-A1 ORGANIC LIGHT-EMITTING DIODE (OLED) DISPLAY PANEL, FABRICATION METHOD AND ELECTRONIC DEVICE THEREOF WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-11-30 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 (2 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885KIF11 4390/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885KIF11 4390/4885

“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.