SCHEMBL20157277

SCHEMBL20157277

CCOC(=O)C(=O)c1cc[nH]c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTT P42858 2/20 0.37
ACACB O00763 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL671053 0.81 CA12 (0.53) MAPTALDH1A1MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL27813064 0.80 CA12 (0.52) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL24404194 0.76 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL11636490 0.75 SMN1; SMN2 (0.37) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL167161 0.73 CES2 (0.60) MAPTALDH1A1KMT2ACA12CA1
SCHEMBL21636244 0.73 MAPT (0.53) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL97859 0.73 ALDH1A1 (0.73) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21636225 0.73 MAPT (0.49) MAPTALDH1A1MEN1KMT2ACA12
SCHEMBL9863135 0.72 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ACA12
Water SCHEMBL27483870 0.72 ALDH1A1 (0.71) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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 (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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 MAPT 237/4885ALDH1A1 4457/4885MEN1 1304/4885

“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.