SCHEMBL4098494

SCHEMBL4098494

[O-][n+]1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.58
ESR2 Q92731 5/20 0.58
MMP3 P08254 2/20 0.48
BCL2L1 Q07817 1/20 0.48
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALOX5 P09917 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
Bromide SCHEMBL4084219 0.97 ESR1 (0.55) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL1648910 0.83
SCHEMBL4035335 0.83 POLB (0.46) MEN1KMT2AMAPTKDM4ELMNA
Water SCHEMBL31152424 0.80 POLB (0.43) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL30826784 0.76 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL15632 0.76 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL6292004 0.76 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL9090705 0.76 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
Hydroquinone SCHEMBL5712110 0.76 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1
SCHEMBL368272 0.76 ESR1 (1.00) ESR1ESR2MMP3BCL2L1ABL1

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
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 ESR1 645/4885ESR2 597/4885MMP3 4525/4885

“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.