SCHEMBL5501006

SCHEMBL5501006

COC(=O)COc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
CTSV O60911 4/20 0.53
CTSL P07711 4/20 0.53
BACE1 P56817 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29502844 0.85 POLB (0.58) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL5421861 0.85 POLB (0.58) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL7350875 0.84 MEN1 (0.56) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL3997761 0.84 MEN1 (0.67) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL5345734 0.83 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8875982 0.82 RAB9A (0.55) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL7350886 0.82 MEN1 (0.54) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL7350879 0.82 MEN1 (0.54) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL9314457 0.81 RAB9A (0.58) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL4173572 0.81 PLA2G4B (0.47) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 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-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B MEN1 3874/4885KMT2A 2371/4885MAPT 448/4885

“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.