SCHEMBL79528

SCHEMBL79528

OCC=Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ CYP1A2 P05177 1/20 0.50
▸ AHR P35869 1/20 0.48
▸ GRIK1 P39086 1/20 0.45
▸ GRIK2 Q13002 1/20 0.45
▸ GRIK3 Q13003 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ HDAC2 Q92769 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL79527 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4RECQLCYP1A2AHR
SCHEMBL9276381 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLCYP1A2ALOX5
SCHEMBL9276383 0.87 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLCYP1A2ALOX5
SCHEMBL10580139 0.85 HDAC2 (0.50) ALDH1A1CYP3A4RECQLCYP1A2AHR
SCHEMBL9461102 0.82 CYP1A2 (0.47) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL9461100 0.82 CYP1A2 (0.47) CYP1A2AHRGRIK1GRIK2GRIK3
SCHEMBL6484162 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4RECQLCYP1A2AHR
SCHEMBL6484173 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4RECQLCYP1A2AHR
SCHEMBL221968 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLCYP1A2ALOX5
SCHEMBL221967 0.78 ALDH1A1 (0.59) ALDH1A1CYP3A4RECQLCYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
CN-102337307-A Preparation method of optically active phenyl glycidol and derivatives thereof CHENGDU INST BIOLOGY CAS 2012-02-01 — — CN 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
CN-116813449-B Phosphorus coordinated iridium monoatomic catalyst for preparing unsaturated alcohol by selective hydrogenation of alpha, beta-unsaturated aldehyde 中国科学院化学研究所 2024-07-12 — — CN disclosed
CN-118271180-A Preparation method of allylamine compound 大连理工大学 2024-07-02 — — CN disclosed
CN-114773229-B 1,6 Diene compound and preparation method and application thereof 南京工业大学 2024-06-14 — — CN disclosed
CN-117510526-A Synthesis method of selenocycloborate compound promoted by visible light 南通大学 2024-02-06 — — CN disclosed
US-4511645-A ALLYL METHACRYLATE-METHACRYLIC ACID COPOLYMER, CURING AGENT, PHOTOINITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1985-04-16 — — US disclosed
EP-0104863-A2 Light-sensitive planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1984-04-04 — — EP disclosed
US-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 — — US disclosed
US-4211783-A Hypolipidemic and antiatherosclerotic novel 4-(aralkyl- and heteroarylalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-07-08 — — US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 — — EP 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

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 ALDH1A1 842/4885CYP3A4 580/4885RECQL 3063/4885
US-20180201576-A1 METHOD FOR SYNTHESIZING DISSYMMETRIC SULFOETHER STS, TST, SCLY ALDH1A1 842/4885CYP3A4 580/4885RECQL 3063/4885
US-12162854-B2 Production method for fluoromethyl derivative AFF1, AFF2, ROS1 ALDH1A1 111/4885CYP3A4 79/4885RECQL 4415/4885
US-20250051299-A1 PRODUCTION METHOD FOR FLUOROMETHYL DERIVATIVE AFF1, AFF2, ROS1 ALDH1A1 111/4885CYP3A4 79/4885RECQL 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.

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