SCHEMBL21835005

SCHEMBL21835005

CC(C)C[C@](C)(Cc1ccccc1)C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MMP8 P22894 3/20 0.38
LMNA P02545 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
SCHEMBL21253227 1.00 TRPA1 (0.45) TRPA1SMN1; SMN2HIF1APPARGPPARA
SCHEMBL21834962 0.86 TRPA1 (0.47) TRPA1SMN1; SMN2HIF1APPARGPPARA
SCHEMBL21834963 0.86 TRPA1 (0.47) TRPA1SMN1; SMN2HIF1APPARGPPARA
SCHEMBL24236755 0.86 TRPA1 (0.47) TRPA1SMN1; SMN2HIF1APPARGPPARA
SCHEMBL24236688 0.82 ANPEP (0.43) PPARGPPARACYP2C9CYP2C19MEN1
SCHEMBL21247201 0.78 MMP8 (0.56) TRPA1SMN1; SMN2TAAR1ALDH1A1MAPT
SCHEMBL24236689 0.77 CYP2C19 (0.46) TRPA1SMN1; SMN2HIF1APPARGPPARA
SCHEMBL24236686 0.77 CYP2C19 (0.46) TRPA1SMN1; SMN2HIF1APPARGPPARA
SCHEMBL24236680 0.77 CYP3A4 (0.43) TRPA1SMN1; SMN2HIF1APPARGPPARA
SCHEMBL21834951 0.77 CYP3A4 (0.43) TRPA1SMN1; SMN2HIF1APPARGPPARA

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
CN-112770632-B Fungicidal compositions 先正达农作物保护股份公司 2022-12-27 CN disclosed
US-20220030867-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-02-03 US disclosed
US-20220030867-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-02-03 US disclosed
EP-3855913-A1 FUNGICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-08-04 EP disclosed
CN-112770632-A Fungicidal compositions 先正达农作物保护股份公司 2021-05-07 CN disclosed
WO-2020064696-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-04-02 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-20220030867-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, CYP3A43 TRPA1 673/4885SMN1; SMN2 4476/4885HIF1A 4823/4885

“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.