SCHEMBL2484529

SCHEMBL2484529

CCC(C)P(=O)(O)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.58
TSHR P16473 3/20 0.51
CETP P11597 1/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.45
ERAP1 Q9NZ08 4/20 0.45
ERAP2 Q6P179 3/20 0.45
ANPEP P15144 2/20 0.45
ACP3 P15309 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
FDPS P14324 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
IL1RN P18510 2/20 0.41

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
SCHEMBL1325439 0.79 CYP2D6 (0.58) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL1101314 0.77 TSHR (0.67) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL28543472 0.75 TSHR (0.64) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL8949611 0.75 CYP2D6 (0.67) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL2488080 0.74 TSHR (0.69) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL5053183 0.74 CYP2D6 (0.56) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL2486994 0.74 TSHR (0.62) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL28103039 0.74 TSHR (0.62) CYP2D6TSHRCETPALDH1A1POLB
SCHEMBL6030731 0.73 TSHR (0.88) CYP2D6TSHRCETPPOLBERAP1
SCHEMBL20575202 0.73 TSHR (0.67) CYP2D6TSHRCETPALDH1A1POLB

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 CYP2D6 1340/4885TSHR 852/4885CETP 807/4885

“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.