SCHEMBL21680796

SCHEMBL21680796

CC(C)CCC(=O)c1ccc(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CTSL P07711 1/20 0.45
HPGD P15428 1/20 0.43
P2RX7 Q99572 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PYGL P06737 2/20 0.38
ACKR3 P25106 2/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8967743 0.82 HPGD (0.46) HPGDP2RX7NPC1RAB9AALDH1A1
Ethylene SCHEMBL10650663 0.79 HPGD (0.44) HPGDP2RX7NPC1RAB9AALDH1A1
SCHEMBL9423079 0.78 HPGD (0.49) CTSLHPGDP2RX7NPC1RAB9A
SCHEMBL18451321 0.76 HPGD (0.50) HPGDP2RX7NPC1RAB9AALDH1A1
SCHEMBL4867735 0.76 HPGD (0.50) CTSLHPGDP2RX7NPC1RAB9A
SCHEMBL12438167 0.75 HPGD (0.49) SLC6A2SLC6A4SLC6A3CTSLHPGD
SCHEMBL3322169 0.75 PTPN1 (0.50) HPGDP2RX7NPC1RAB9AALDH1A1
SCHEMBL21680741 0.74 CTSL (0.47) SLC6A2SLC6A4SLC6A3CTSLHPGD
SCHEMBL28133913 0.74 MAPK14 (0.39) CTSLHPGDP2RX7NPC1RAB9A
SCHEMBL17295199 0.73 ERCC5 (0.51) CTSLHPGDP2RX7NPC1RAB9A

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-3611164-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2024-08-28 EP disclosed
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients MITSUI CHEMICALS ARGRO, INC. (JP) 2021-10-19 US disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING 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 (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-20200045963-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES COMPRISING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP SLC6A2 3538/4885SLC6A4 2550/4885SLC6A3 2648/4885
US-11147272-B2 Pyridone compounds and agricultural and horticultural fungicides comprising the same as active ingredients PNPO, PDXK, PLPBP SLC6A2 3538/4885SLC6A4 2550/4885SLC6A3 2648/4885

“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.