SCHEMBL2487586

SCHEMBL2487586

CCCP(=O)(CC)OCCO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.43
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1358427 0.89 PPARD (0.50) PPARDLPAR3LPAR1LPAR2TSHR
SCHEMBL2170863 0.87 PPARD (0.43) PPARDLPAR3LPAR1LPAR2TSHR
Ammonia Solution, Strong SCHEMBL7040273 0.87 PPARD (0.48) PPARDTSHRALDH1A1
SCHEMBL20672347 0.86 PPARD (0.44) PPARDLPAR3LPAR1LPAR2TSHR
SCHEMBL4246781 0.84 MEN1 (0.38) PPARDLPAR3LPAR1LPAR2TSHR
SCHEMBL2350370 0.80 PPARD (0.38) PPARDTSHRMEN1KMT2A
SCHEMBL2355386 0.80 GABBR2 (0.47) PPARDTSHRCYP3A4MEN1KMT2A
SCHEMBL5485187 0.80 CYP3A4 (0.56) LPAR3LPAR1LPAR2TSHRCYP3A4
SCHEMBL26980275 0.80 PPARD (0.56) PPARDLPAR3LPAR1LPAR2TSHR
SCHEMBL1359596 0.79 CYP3A4 (0.50) PPARDLPAR3LPAR1LPAR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379571-A1 METHOD FOR THE PRODUCTION OF MIXED-SUBSTITUTED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP disclosed
US-20110245386-A1 Method for the Production of Mixed-Substituted Dialkylphosphinic Acids, Esters, and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-06 US disclosed
WO-2010069419-A1 METHOD FOR THE PRODUCTION OF MIXED-SUBSTITUTED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-06-24 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-20110245386-A1 Method for the Production of Mixed-Substituted Dialkylphosphinic Acids, Esters, and Salts, and Use Thereof HAO2, ACSL3, SCO2 PPARD 2351/4885LPAR3 138/4885LPAR1 170/4885

“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.