SCHEMBL2454046

SCHEMBL2454046

[c]1ccccc1COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
KCNA3 P22001 1/20 0.43
APP P05067 1/20 0.42
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38

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
SCHEMBL8745114 0.82 MAOB (0.38) APPRAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL8882137 0.82 KCNA3 (0.52) KCNH2KCNA3RAB9ASMN1; SMN2NPC1
SCHEMBL8883515 0.80 KCNA3 (0.56) KCNH2KCNA3RAB9ASMN1; SMN2NPC1
SCHEMBL2465787 0.78 KCNH2 (0.52) KCNH2KCNA3APPRAB9ASMN1; SMN2
SCHEMBL7634483 0.78 TSHR (0.40)
SCHEMBL10650830 0.76 SMN1; SMN2 (0.50) KCNH2APPSMN1; SMN2LMNAPTGS1
SCHEMBL9401075 0.76 IDH1 (0.41) KCNH2KCNA3APPRAB9ASMN1; SMN2
SCHEMBL15542484 0.74 RXRA (0.48) RAB9ASMN1; SMN2LMNAALDH1A1MAOB
SCHEMBL216358 0.74
SCHEMBL9473450 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP claimed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US claimed
CN-100494182-C Regulatory factor of tumor necrosis alpha factor GENZYME CORP (US) 2009-06-03 CN claimed
CN-1753673-A Prodrugs of gaba analogs, compositions and uses thereof XENOPORT INC (US) 2006-03-29 CN claimed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US claimed
CN-1441787-A Modulators of TNF-alpha signaling GENZYME CORP (US) 2003-09-10 CN claimed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP claimed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US claimed
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 WO claimed
EP-0673923-B1 Substituted phenoxymethyl-phenyl-derivatives, process for their preparation and their use as parasiticides and fungicides BASF AG (DE) 1998-05-20 EP claimed
US-5696161-A Substituted phenoxymethylphenyl derivatives, their preparation and their use for controlling pests and fungi BASF AKTIENGESELLSCHAFT (DE) 1997-12-09 US claimed
US-5545664-A Substituted phenoxymethylphenyl derivatives, their preparation and their use for controlling pests and fungi BASF AKTIENGESELLSCHAFT (DE) 1996-08-13 US claimed
CN-1121510-A Substituted phenoxymethylphenyl derivatives, their preparation and their use for controlling pests and fungi BASF AG (DE) 1996-05-01 CN claimed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
US-4310658-A Production of polyester thermally stabilized with an oxirane ALLIED CORPORATION (US) 1982-01-12 US claimed
EP-0042057-A1 Production of polyester thermally stabilized with an oxirane ALLIED CORPORATION (US) 1981-12-23 EP claimed
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 US disclosed
EP-0042057-A1 Production of polyester thermally stabilized with an oxirane ALLIED CORPORATION (US) 1981-12-23 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-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 KCNH2 3826/4885KCNA3 3817/4885APP 4531/4885
US-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 KCNH2 4618/4885KCNA3 4778/4885APP 2639/4885

“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.