SCHEMBL29664708

SCHEMBL29664708

COC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA12 O43570 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
XDH P47989 2/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52

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
SCHEMBL383936 1.00 CES2 (0.59) CES2CES1CA1CA2CA12
SCHEMBL14012582 1.00 CES2 (0.59) CES2CES1CA1CA2CA12
SCHEMBL27558516 0.88 ERN1 (0.49) CES2CES1CA1CA2CA12
SCHEMBL4652494 0.85 ERN1 (0.64) CES2CES1CA1CA2CA12
SCHEMBL2456384 0.84 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL1401556 0.84 KDM4E (0.58) CA1CA2CA12CA7CA9
SCHEMBL851097 0.84 CA1 (0.69) CA1CA2CA12CA7CA9
SCHEMBL1495863 0.84 HDAC1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL854583 0.84 NOTUM (0.54) CA1CA2CA12CA7CA9
SCHEMBL523320 0.84 KDM4E (0.62) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115306376-A Oil-gas well fracturing monitoring reagent, method and application thereof 中国石油天然气股份有限公司 2022-11-08 CN claimed
CN-114865080-A Lithium ion battery electrolyte and lithium ion battery 香河昆仑新能源材料股份有限公司 2022-08-05 CN claimed
CN-122070277-A Androgen receptor PROTAC 葛兰素史密斯克莱知识产权发展有限公司 2026-05-19 CN disclosed
CN-116082311-B Phthalazinone compound, preparation method and medical application thereof 上海济煜医药科技有限公司 2025-04-25 CN disclosed
CN-119325476-A Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2025-01-17 CN disclosed
CN-118696036-A PARP1 inhibitors 突触活化疗法股份有限公司 2024-09-24 CN disclosed
CN-118525011-A Morpholinyl quinazoline compound, preparation method and application thereof 上海璎黎药业有限公司 2024-08-20 CN disclosed
CN-111278809-B Bicyclic sulfones and sulfoxides, and methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
CN-115594666-B Synthesis and application of phosphatase degradation agent 海创药业股份有限公司 2024-05-31 CN disclosed
CN-114891003-B Novel dihydropyrimidine compound, intermediate or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2023-10-13 CN disclosed
CN-112876482-B Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2023-07-28 CN disclosed
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ITEOS BELGIUM S A (BE) 2023-03-30 US disclosed
CN-115594666-A Synthesis and application of phosphatase degrading agent 海创药业股份有限公司(CN) 2023-01-13 CN disclosed
CN-115306376-A Oil-gas well fracturing monitoring reagent, method and application thereof 中国石油天然气股份有限公司 2022-11-08 CN disclosed
CN-108473464-B Isoindolinone inhibitors of MDM2-P53 interaction with anti-cancer activity 阿斯泰克斯治疗有限公司 2022-08-23 CN disclosed
CN-114891003-A Novel dihydropyrimidine compounds, intermediates or salts, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-08-12 CN disclosed
CN-114865080-A Lithium ion battery electrolyte and lithium ion battery 香河昆仑新能源材料股份有限公司 2022-08-05 CN disclosed
CN-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN disclosed
CN-114671875-A Novel dihydropyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-06-28 CN disclosed
CN-114656472-A Pyrazolopyrimidine compound, isomer or salt, and preparation method and application thereof 成都施贝康生物医药科技有限公司 2022-06-24 CN 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-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 CES2 1584/4885CES1 2049/4885CA1 470/4885

“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.