SCHEMBL315326

SCHEMBL315326

[CH]1CC=Cc2ccccc2O1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL31261738 0.70 MAPT (0.35) MAPT
SCHEMBL4131175 0.70 MAPT (0.35) MAPT
SCHEMBL11135785 0.68 CYP2B6 (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL9208 0.68 CYP2B6 (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2281562 0.68 CYP2B6 (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2289180 0.68 CYP2B6 (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL29364609 0.68 CYP2B6 (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2493361 0.68
SCHEMBL939557 0.67 CYP2B6 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL15157639 0.67 CYP2B6 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP claimed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US claimed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP claimed
EP-0318235-A2 PAF antagonist, 1,4-disubstituted piperazine compounds and production thereof Takeda Chemical Industries, Ltd. (JP) 1989-05-31 EP claimed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8168829-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-01 US disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7795294-B2 Tetrahydro-2H-indazole pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-14 US disclosed
EP-2220041-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-25 EP disclosed
EP-2212286-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
WO-2009055516-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-30 WO disclosed
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 WO disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
US-4937246-A ABSORBED EASILY FROM INTESTINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-06-26 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP 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 (2 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-20060069123-A1 Substituted dipiperidine CCR2 antagonists CCR2, CCR1, CCR5 KDM4E 4452/4885MEN1 4415/4885ALDH1A1 934/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 KDM4E 1506/4885MEN1 970/4885ALDH1A1 1144/4885

“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.