SCHEMBL21835010

SCHEMBL21835010

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRPA1 O75762 1/20 0.42
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP8 P22894 4/20 0.39
RECQL P46063 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARD Q03181 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL21834964 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL24236685 0.87 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL20509071 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL24236743 0.85 CYP2C19 (0.46) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL24236757 0.85 CYP2C19 (0.46) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL24236754 0.85 CYP2C19 (0.46) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL7415791 0.84 HIF1A (0.56) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL7256038 0.84 HIF1A (0.56) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL27908890 0.83 SMN1; SMN2 (0.57) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A
SCHEMBL3270164 0.78 PPARA (0.55) ALDH1A1CYP3A4CYP2C19CYP2C9HIF1A

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 ALDH1A1 3481/4885CYP3A4 23/4885CYP2C19 4/4885

“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.