SCHEMBL1743416

SCHEMBL1743416

O=C(c1ccccc1)C(F)(F)Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 7/20 0.70
▸ CES2 O00748 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ DAO P14920 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ SRC P12931 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL29035921 0.85 CES1 (0.70) CES1CES2TSHRALDH1A1DAO
Benzene SCHEMBL27672585 0.82 CES1 (1.00) CES1CES2TSHRALDH1A1DAO
SCHEMBL7907262 0.82 CES1 (0.73) CES1CES2TSHRALDH1A1DAO
SCHEMBL33083 0.82 CES1 (1.00) CES1CES2TSHRALDH1A1DAO
SCHEMBL1799477 0.81 CES1 (0.64) CES1CES2TSHRALDH1A1DAO
SCHEMBL27972618 0.81 CES1 (0.64) CES1CES2TSHRALDH1A1DAO
SCHEMBL9419966 0.81 CES1 (0.64) CES1CES2TSHRALDH1A1DAO
SCHEMBL31083855 0.80 CES1 (0.95) CES1CES2TSHRALDH1A1DAO
SCHEMBL29393401 0.80 CES1 (0.95) CES1CES2TSHRALDH1A1DAO
Fluoride SCHEMBL27824066 0.80 CES1 (0.95) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117326923-A Fluorine-containing dihydronaphthalenone derivative and preparation method and application thereof 上海应用技术大学 2024-01-02 — — CN claimed
CN-118239874-A Difluoro alkenyl thiocyanate compound and preparation method and application thereof 上海应用技术大学 2024-06-25 — — CN disclosed
CN-117326923-A Fluorine-containing dihydronaphthalenone derivative and preparation method and application thereof 上海应用技术大学 2024-01-02 — — CN disclosed
CN-113501766-B Asymmetric synthesis method of multi-functional cyclopentenone derivative containing difluoroalkyl 重庆大学 2023-05-23 — — CN disclosed
CN-115838338-A Method for preparing amide 浙江工业大学 2023-03-24 — — CN disclosed
US-20160130328-A1 Pathogen Binding Agents Conjugated to Radioisotopes and Uses in Imaging and Therapeutic Applications EMORY UNIVERSITY 2016-05-12 — — US disclosed
EP-2388253-B1 THIAZOLE DERIVATIVE AND PROCESS FOR PRODUCING SAME UNIV GIFU (JP) 2015-02-11 — — EP disclosed
US-8871944-B2 Thiazole derivative and process for producing same GIFU UNIVERSITY (JP) 2014-10-28 — — US disclosed
US-20110319616-A1 THIAZOLE DERIVATIVE AND PROCESS FOR PRODUCING SAME GIFU UNIVERSITY (JP) 2011-12-29 — — US disclosed
EP-2388253-A1 THIAZOLE DERIVATIVE AND PROCESS FOR PRODUCING SAME Gifu University (JP) 2011-11-23 — — EP disclosed
US-20080267882-A1 Multimeric RGD (arginine-glycine-aspartic acid (Arg-Gly-Asp)) peptide; positron emission tomography; angiogenesis; kits STANFORD UNIVERSITY (US) 2008-10-30 — — 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 (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-20110319616-A1 THIAZOLE DERIVATIVE AND PROCESS FOR PRODUCING SAME TST, TALDO1, TBCD CES1 2453/4885CES2 1257/4885TSHR 164/4885

“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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