SCHEMBL4088200

SCHEMBL4088200

Cc1cc(-c2ccc(O)cc2)cc[n+]1[O-]

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
ESR2 Q92731 6/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ABL1 P00519 3/20 0.40
ABCB1 P08183 3/20 0.40
BCR P11274 3/20 0.40
QDPR P09417 2/20 0.40

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
SCHEMBL1795678 0.81 TNKS2 (0.37) MEN1KMT2AQDPR
SCHEMBL18000465 0.80 SLC22A2 (0.46) ALOX5
SCHEMBL4099241 0.78 DYRK1A (0.46) ESR2MEN1KMT2AHSD17B1HSD17B2
SCHEMBL14290950 0.77 KIF11 (0.42)
SCHEMBL4098494 0.72 ESR1 (0.58) ESR1ESR2MEN1KMT2AALOX5
Bromide SCHEMBL4084219 0.70 ESR1 (0.55) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL9747522 0.66
SCHEMBL12954736 0.66 ESR1 (0.55) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL9090705 0.65 ESR1 (1.00) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL15632 0.65 ESR1 (1.00) ESR1ESR2MEN1KMT2AALOX5

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 9 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
CN-101258138-B Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands BIOPROJET SOC CIV 2013-06-12 CN 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
CN-101258138-A Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands BIOPROJET SOC CIV (FR) 2008-09-03 CN 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 597/4885MEN1 1376/4885

“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.