SCHEMBL935167

SCHEMBL935167

COc1ccc(C2(C)C=CC=CN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.36
RECQL P46063 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL8169057 0.77 MMP2 (0.35) GAAL3MBTL1OPRM1OPRL1ALDH1A1
SCHEMBL27933445 0.77 CA12 (0.34) CA1CA2CA7CA9CA12
SCHEMBL7345235 0.70 ADORA1 (0.34)
SCHEMBL6971681 0.68 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL28198222 0.68 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL31318705 0.65 TGFBR1 (0.30) MAPT
1,4-Dimethoxybenzene SCHEMBL8489 0.63 CA1 (1.00) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.63 CA1 (1.00) CA1CA2CA7CA9CA12
SCHEMBL434091 0.62 CA1 (0.52) CA1CA2CA7CA9CA12
Mequinol SCHEMBL28234456 0.61 ESR2 (0.73) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011006353-A1 LUMINESCENT GOLD(III) COMPOUNDS CONTAINING BIDENTATE LIGAND FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION THE UNIVERSITY OF HONG KONG (CN) 2011-01-20 WO claimed
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-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 CA1 845/4885CA2 1797/4885CA7 3262/4885

“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.