SCHEMBL21247201

SCHEMBL21247201

CCOC(=O)C(C)(Cc1ccccc1)CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.56
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
PIN1 Q13526 2/20 0.44
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TRPA1 O75762 1/20 0.41
POLB P06746 2/20 0.40
PPID Q08752 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSS P25774 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4416410 0.84 MMP8 (0.54) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL14874446 0.82 HTT (0.44) MMP8ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9712250 0.82 MMP8 (0.58) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL21834962 0.81 TRPA1 (0.47) MMP8ALDH1A1RECQLMAPTLMNA
SCHEMBL21834963 0.81 TRPA1 (0.47) MMP8ALDH1A1RECQLMAPTLMNA
SCHEMBL24236755 0.81 TRPA1 (0.47) MMP8ALDH1A1RECQLMAPTLMNA
SCHEMBL27993636 0.81 MMP8 (0.57) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL19329165 0.79 MMP8 (0.56) MMP8ALDH1A1RECQLPIN1MAPT
SCHEMBL21835005 0.78 TRPA1 (0.45) MMP8ALDH1A1RECQLMAPTLMNA
SCHEMBL21253227 0.78 TRPA1 (0.45) MMP8ALDH1A1RECQLMAPTLMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110446698-B Microbicidal quinoline (thio) carboxamide derivatives 先正达参股股份有限公司 2023-03-28 CN disclosed
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
EP-3601228-B1 MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-01-19 EP disclosed
CN-112770632-A Fungicidal compositions 先正达农作物保护股份公司 2021-05-07 CN disclosed
US-10952436-B2 Microbiocidal quinoline (thio)carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-03-23 US disclosed
EP-3749660-A1 NEW PYRIDINE CARBOXAMIDES BASF SE (DE) 2020-12-16 EP disclosed
US-20200354321-A1 NEW PYRIDINE CARBOXAMIDES BASF SE (DE) 2020-11-12 US disclosed
US-20200354321-A1 NEW PYRIDINE CARBOXAMIDES BASF SE (DE) 2020-11-12 US disclosed
CN-111683933-A Novel pyridine carboxamides 巴斯夫欧洲公司 2020-09-18 CN disclosed
CN-110446698-A Microbicidal quinoline (thio) carboxamide derivatives SYNGENTA PARTICIPATIONS AG 2019-11-12 CN disclosed
WO-2019154663-A1 NEW PYRIDINE CARBOXAMIDES BASF SE (DE) 2019-08-15 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 (3 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-20200354321-A1 NEW PYRIDINE CARBOXAMIDES COX4I1, NQO2, NDUFS5 MMP8 4386/4885ALDH1A1 429/4885RECQL 2562/4885
US-10952436-B2 Microbiocidal quinoline (thio)carboxamide derivatives IDO1, IFNG, TLR1 MMP8 2366/4885ALDH1A1 877/4885RECQL 948/4885
US-20220030867-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, CYP3A43 MMP8 3269/4885ALDH1A1 3481/4885RECQL 1289/4885

“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.