SCHEMBL6566905

SCHEMBL6566905

CC(C)OC(=O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA7 P43166 4/20 0.62
CA9 Q16790 4/20 0.62
CA14 Q9ULX7 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
HSP90AA1 P07900 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
PAX8 Q06710 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL28536038 0.88 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL5736598 0.86 L3MBTL1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL10879334 0.85 CRHBP (0.56) L3MBTL1MAPTNPSR1MEN1KMT2A
SCHEMBL231452 0.84 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29448257 0.83 L3MBTL1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL391334 0.83 L3MBTL1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28533874 0.82 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL30737471 0.80 L3MBTL1 (0.68) CA12CA9L3MBTL1MAPTNPSR1
SCHEMBL719391 0.80 L3MBTL1 (0.68) CA12CA9L3MBTL1MAPTNPSR1
SCHEMBL6566676 0.80 L3MBTL1 (0.62) L3MBTL1MAPTNPSR1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591635-A Hapten for detecting content of methyl iso-salidrone and application thereof 北京勤邦科技股份有限公司 2025-03-11 CN claimed
CN-119591635-A Hapten for detecting content of methyl iso-salidrone and application thereof 北京勤邦科技股份有限公司 2025-03-11 CN disclosed
CN-119470886-A Methyl iso-salidrone test strip and application thereof in detecting methyl iso-salidrone residues 中国食品药品检定研究院(国家药品监督管理局医疗器械标准管理中心、中国药品检验总所) 2025-02-18 CN disclosed
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 CA12 4703/4885CA1 3612/4885CA2 2979/4885

“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.