SCHEMBL29645246

SCHEMBL29645246

COC(=O)Nc1cc(C)c(C(=O)CC2CCCCC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
EPHX2 P34913 1/20 0.40
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
POLB P06746 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
LDLR P01130 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL24459251 0.88 KDM4E (0.43) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL30481766 0.75 AAK1 (0.44) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL24459317 0.75 AAK1 (0.44) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL26978706 0.74 AAK1 (0.42) RAB9ANPC1P2RX7MEN1KMT2A
SCHEMBL29036617 0.73 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL38657343 0.73 HPGD (0.49) KDM4EALDH1A1MAPTHSD17B10RAB9A
SCHEMBL18311400 0.71 GABRA1 (0.43) RAB9ANPC1P2RX7MEN1KMT2A
SCHEMBL29645244 0.71 HPGD (0.49) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL24459348 0.70 GABRA1 (0.37) RAB9ANPC1P2RX7MEN1KMT2A
SCHEMBL24459394 0.70 PDE4A (0.36) KDM4EALDH1A1MAPTTSHRHSD17B10

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-20240000075-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2024-01-04 US disclosed
EP-4247788-A1 FUNGICIDAL ARYL AMIDINES Corteva Agriscience LLC (US) 2023-09-27 EP disclosed
WO-2022109361-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO 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 (1 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-20240000075-A1 FUNGICIDAL ARYL AMIDINES CYP1A1, CYP1A2, CYP1B1 KDM4E 648/4885ALDH1A1 105/4885MAPT 4011/4885

“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.