SCHEMBL6259653

SCHEMBL6259653

O=[N+]([O-])c1ccc(C2OCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SLC18A3 Q16572 1/20 0.43
CES1 P23141 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
EPHX1 P07099 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.40
CRYZ Q08257 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL699498 0.92 EPHX1 (0.44) MAPTSLC18A3CES1LMNAPOLB
SCHEMBL9778785 0.83 CA12 (0.53) MAPTALDH1A1KMT2AMEN1RECQL
SCHEMBL27828507 0.80 KDM4E (0.47) MAPTSLC18A3CES1LMNAPOLB
SCHEMBL27828506 0.80 KDM4E (0.47) MAPTSLC18A3CES1LMNAPOLB
SCHEMBL9451018 0.79 MEN1 (0.41) MAPTLMNAPOLBALDH1A1KMT2A
SCHEMBL6347480 0.79 MAPT (0.43) MAPTSLC18A3LMNAPOLBGAA
SCHEMBL9636565 0.79 SMN1; SMN2 (0.53) MAPTSLC18A3LMNAPOLBKDM4E
SCHEMBL28368682 0.77 SLC18A3 (0.45) MAPTSLC18A3CES1LMNAPOLB
SCHEMBL28368681 0.77 SLC18A3 (0.45) MAPTSLC18A3CES1LMNAPOLB
SCHEMBL28373802 0.77 SLC18A3 (0.45) MAPTSLC18A3CES1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57102980-A None JP disclosed
CN-108349929-B Tocotrienol derivatives, pharmaceutical compositions and methods of use in 5-lipoxygenase related disorders 昂热大学 2022-01-11 CN disclosed
US-20190144413-A1 TOCOTRIENOL DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN 5-LIPOXYGENASE RELATED DISEASES FRIEDRICH-SCHILLER-UNIVERSITÄT JENA (DE) 2019-05-16 US disclosed
EP-3341366-A1 TOCOTRIENOL DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN 5-LIPOXYGENASE RELATED DISEASES Université d'Angers (FR) 2018-07-04 EP disclosed
WO-2017032881-A1 TOCOTRIENOL DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN 5-LIPOXYGENASE RELATED DISEASES Université d'Angers (FR) 2017-03-02 WO disclosed
WO-2005011661-A1 PHARMACEUTICAL AGENTS UNIVERSITY COLLEGE LONDON (GB) 2005-02-10 WO disclosed
JP-S57102980-A LIQUID CRYSTAL COMPOSITION SEIKO EPSON CORP 1982-06-26 JP 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-20190144413-A1 TOCOTRIENOL DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN 5-LIPOXYGENASE RELATED DISEASES ALOX5, ALOX15B, ALOX15 MAPT 4095/4885SLC18A3 2662/4885CES1 277/4885

“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.