SCHEMBL82199

SCHEMBL82199

Cc1ccc(C=CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
CA1 P00915 1/20 0.50
NFE2L2 Q16236 2/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 3/20 0.45
RELA Q04206 1/20 0.45
RAB9A P51151 4/20 0.44
KMT2A Q03164 1/20 0.44
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42

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
SCHEMBL82198 1.00 CYP3A4 (0.52) CYP3A4ALDH1A1RECQLCA1NFE2L2
SCHEMBL11828652 0.90 CYP4F2 (0.49) CYP3A4ALDH1A1RECQLCA1NFE2L2
SCHEMBL11828658 0.90 CYP4F2 (0.49) CYP3A4ALDH1A1RECQLCA1NFE2L2
SCHEMBL9276383 0.87 ALDH1A1 (0.62) CYP3A4ALDH1A1RECQLCA1NFE2L2
SCHEMBL9276381 0.87 ALDH1A1 (0.62) CYP3A4ALDH1A1RECQLCA1NFE2L2
Cinnamic Alcohol SCHEMBL27980025 0.85 PAM (0.48) CYP3A4ALDH1A1RECQLPTGS1PTGS2
SCHEMBL10533955 0.85 CA1 (0.45) CYP3A4ALDH1A1RECQLCA1NFE2L2
SCHEMBL27738997 0.83 APP (0.45) CYP3A4ALDH1A1RECQLCA1NFE2L2
SCHEMBL5808056 0.82 CA1 (0.47) CYP3A4ALDH1A1CA1NFE2L2PTGS1
SCHEMBL221968 0.78 ALDH1A1 (0.59) CYP3A4ALDH1A1RECQLCA1NFE2L2

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773229-B 1,6 Diene compound and preparation method and application thereof 南京工业大学 2024-06-14 CN claimed
CN-117362338-A Method for preparing 3, 3-diaryl allyl substituted organic phosphonate compound 湖南理工学院 2024-01-09 CN claimed
CN-115716776-A Method for synthesizing alcohol compound by catalyzing alpha, beta-unsaturated aldehyde 化学与精细化工广东省实验室 2023-02-28 CN claimed
CN-113277963-B Amine compound and preparation method and application thereof 南京工业大学 2022-11-04 CN claimed
CN-114773229-A 1,6 diene compound and preparation method and application thereof 南京工业大学 2022-07-22 CN claimed
CN-113277963-A Amine compound and preparation method and application thereof 南京工业大学 2021-08-20 CN claimed
CN-110627693-B Allyl sulfone compound and preparation method and application thereof 南京工业大学 2021-06-04 CN claimed
CN-108947754-B Use of bidentate phosphite ligands in C-F bond building reactions 郑州大学 2021-02-26 CN claimed
CN-108993600-B Use of bidentate phosphite ligands in C-B bond building reactions 郑州大学 2021-01-22 CN claimed
CN-112047842-A 1, 4-diene compound and preparation method and application thereof 南京工业大学 2020-12-08 CN claimed
CN-110627693-A Allyl sulfone compound and preparation method and application thereof 南京工业大学 2019-12-31 CN claimed
CN-108993600-A Application of the bidentate phosphite ester ligand in the building reaction of C-B key 郑州大学 2018-12-14 CN claimed
CN-108947754-A Application of the bidentate phosphite ester ligand in the building reaction of C-F key 郑州大学 2018-12-07 CN claimed
US-10112896-B2 Method for synthesizing dissymmetric sulfoether SOOCHOW UNIVERSITY (CN) 2018-10-30 US claimed
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER SOOCHOW UNIVERSITY (CN) 2018-07-19 US claimed
US-20250051299-A1 PRODUCTION METHOD FOR FLUOROMETHYL DERIVATIVE DAIKIN INDUSTRIES, LTD. (JP) 2025-02-13 US disclosed
US-12162854-B2 Production method for fluoromethyl derivative DAIKIN INDUSTRIES, LTD. (JP) 2024-12-10 US disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed
US-3969384-A Esters of cyclopropane alkanoic acids ZOECON CORPORATION (US) 1976-07-13 US disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 US 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 (4 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-10112896-B2 Method for synthesizing dissymmetric sulfoether STS, TST, SCLY CYP3A4 580/4885ALDH1A1 842/4885RECQL 3063/4885
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY CYP3A4 580/4885ALDH1A1 842/4885RECQL 3063/4885
US-12162854-B2 Production method for fluoromethyl derivative AFF1, AFF2, ROS1 CYP3A4 79/4885ALDH1A1 111/4885RECQL 4415/4885
US-20250051299-A1 PRODUCTION METHOD FOR FLUOROMETHYL DERIVATIVE AFF1, AFF2, ROS1 CYP3A4 79/4885ALDH1A1 111/4885RECQL 4415/4885

“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.