SCHEMBL7059946

SCHEMBL7059946

c1ccc2c(OC3CCCCC3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.54
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CARM1 Q86X55 1/20 0.41
PRMT1 Q99873 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
HTR1B P28222 1/20 0.41
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HCRTR1 O43613 1/20 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
SCHEMBL16789532 1.00 MCHR1 (0.54) MCHR1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL16902862 0.90 MEN1 (0.51) MCHR1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL10605456 0.88 MCHR1 (0.51) MCHR1CARM1PRMT1PDE5APDE4A
SCHEMBL5473677 0.82 HRH1 (0.58) MEN1KMT2ARAB9AL3MBTL1
SCHEMBL3120094 0.82 MEN1 (0.45) MCHR1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL2242864 0.82 MCHR1 (0.51) MCHR1CARM1PRMT1PDE5APDE4A
Hydrochloric Acid SCHEMBL5460821 0.81 HRH1 (0.57) MEN1KMT2ARAB9AL3MBTL1
SCHEMBL21047681 0.81 MEN1 (0.47) MCHR1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL19829484 0.80 HRH1 (0.55) MCHR1CARM1PRMT1PDE5APDE4A
SCHEMBL11066008 0.80 NOS3 (0.51) MEN1KMT2AL3MBTL1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877180-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen Idec MA Inc. (US) 2015-06-03 EP disclosed
WO-2014018891-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-01-30 WO disclosed
EP-1027316-B1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INST TECHNOLOGY (US) 2003-05-21 EP disclosed
EP-1254884-A2 Preparation of vinyl ethers from alcohols and alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-11-06 EP disclosed
EP-1245553-A2 Palladium-catalysed synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-02 EP disclosed
US-20010008942-A1 Synthesis of aryl ethers BUCHWALD STEPHEN L (US) 2001-07-19 US disclosed
US-6166226-A Synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-12-26 US disclosed
EP-1027316-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-08-16 EP disclosed
US-5847166-A Synthesis of aryl ethers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-12-08 US disclosed
WO-1998015515-A1 SYNTHESIS OF ARYL ETHERS, METHODS AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-04-16 WO disclosed
US-5516577-A Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 1996-05-14 US disclosed
US-5503910-A HAVING LIGHT EMITTING LAYERS CONTAINING COMPOUNDS WITH SPECIFIED FLUORESCENCE PEAK WAVELENGTHS; EFFICIENCY, STABILITY IDEMITSU KOSAN CO., LTD. (JP) 1996-04-02 US disclosed
EP-0459495-B1 Process for the acylation of naphthylethers with the aid of zeolite-catalysts HOECHST AG (DE) 1995-01-25 EP disclosed
EP-0569827-A2 Organic electroluminescence device IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-11-18 EP disclosed
US-5227529-A Low temperature, catalyst selectivity HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
EP-0459495-A2 Process for the acylation of naphthylethers with the aid of zeolite-catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-04 EP disclosed
US-4452943-A ADDING NITRILE-CONTAINING MATERIAL TO NON-POLAR THERMOPLASTIC POLYMER GOLDMAN CONRAD 1984-06-05 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-20010008942-A1 Synthesis of aryl ethers AHR, PAH, PDK1 MCHR1 3247/4885MEN1 459/4885KMT2A 144/4885

“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.