SCHEMBL29645245

SCHEMBL29645245

COC(=O)Nc1cc(C)ccc1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.75
NLRP3 Q96P20 1/20 0.61
GAA P10253 1/20 0.56
LMNA P02545 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
SCHEMBL13647682 1.00 HPGD (0.75) HPGDNLRP3GAALMNAHSD17B10
SCHEMBL29645247 1.00 HPGD (0.75) HPGDNLRP3GAALMNAHSD17B10
SCHEMBL716888 0.85 ALDH1A1 (0.57) HPGDNLRP3LMNARAB9ASMN1; SMN2
SCHEMBL29922263 0.85 ALDH1A1 (0.57) HPGDNLRP3LMNARAB9ASMN1; SMN2
SCHEMBL2092869 0.84 HPGD (0.75) HPGDLMNAHDAC3HDAC4HDAC1
SCHEMBL11648867 0.83 CA12 (0.62) NLRP3GAALMNAHSD17B10HDAC3
SCHEMBL7651532 0.83 GAA (0.60) HPGDNLRP3GAALMNAHSD17B10
SCHEMBL21568041 0.83 GAA (0.66) HPGDNLRP3GAALMNAHSD17B10
SCHEMBL18473970 0.83 NLRP3 (0.79) HPGDNLRP3GAALMNAHSD17B10
SCHEMBL10780310 0.83 HPGD (0.53) HPGDNLRP3GAALMNATSHR

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 HPGD 3589/4885NLRP3 1769/4885GAA 512/4885

“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.