SCHEMBL3540843

SCHEMBL3540843

CS(=O)(=O)O.CS(=O)(=O)O.OCCCc1ccc(-c2ccc(CCCO)cc2)cc1

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.56
▸ CYP4A11 Q02928 2/20 0.53
▸ CYP4F2 P78329 1/20 0.47
▸ RARB P10826 6/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RARA P10276 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL2453324 0.86 CA2 (0.55) CA2CYP4A11CYP4F2PPARAMEN1
SCHEMBL3535251 0.85 CA2 (0.54) CA2CYP4A11CYP4F2RARBPPARA
SCHEMBL5108050 0.85 L3MBTL1 (0.54) CA2CYP4A11CYP4F2MEN1ALDH1A1
SCHEMBL27557738 0.85 CA2 (0.53) CA2CYP4A11CYP4F2
Hydrocinnamyl Alcohol SCHEMBL28034182 0.84 POLB (0.59) CA2CYP4A11MEN1ALDH1A1MAPT
SCHEMBL8684163 0.80 CYP4A11 (0.58) CA2CYP4A11CYP4F2PPARA
SCHEMBL1943907 0.80 CA2 (0.67) CA2CYP4A11
SCHEMBL8868256 0.79 KDM4E (0.61) CA2CYP4A11BACE1MEN1ALDH1A1
SCHEMBL11894717 0.79 RARB (0.52) CA2CYP4A11RARBMEN1ALDH1A1
SCHEMBL8947064 0.79 RARB (0.61) CA2CYP4A11RARBMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 — — US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 — — EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 — — US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 — — 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD CA2 3175/4885CYP4A11 572/4885CYP4F2 781/4885

“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.

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