SCHEMBL2486285

SCHEMBL2486285

CCP(=O)(O)c1ccccc1CCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.35
CFTR P13569 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ACP3 P15309 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6522210 0.85 GABRA1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL22345334 0.84 CYP3A4 (0.43) CYP3A4CYP2C9HIF1ATSHR
SCHEMBL31111307 0.81 NPC1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL936960 0.81 NPC1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL17626552 0.80 CFTR (0.44) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL777941 0.76 PTPN5 (0.40) CFTRMEN1KMT2APTPN1ALDH1A1
SCHEMBL969341 0.73 CFTR (0.39) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL29019759 0.72 TSHR (0.47) CYP3A4CYP2C9HIF1ATSHR
SCHEMBL3022571 0.72 GABRA1 (0.48) TDP1PTPN1ALDH1A1CYP4F2CYP4A11
SCHEMBL20526234 0.72 TSHR (0.39) HIF1AMEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9279085-B2 Method for the production of monofunctionalized dialkylphosphinic acids, esters and salts, and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2016-03-08 US disclosed
EP-2379572-B1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF CLARIANT INT LTD (CH) 2015-12-23 EP disclosed
EP-2379572-A1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, ESTERS, AND SALTS, AND USE THEREOF Clariant International Ltd. (CH) 2011-10-26 EP disclosed
US-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-10-13 US disclosed
WO-2010069420-A1 METHOD FOR THE PRODUCTION OF MONOFUNCTIONALIZED 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-20110251315-A1 Method for the Production of Monofunctionalized Dialkylphosphinic Acids, Esters and Salts, and Use Thereof LPAR6, LPAR2, HAO2 CYP1A2 2134/4885CYP3A4 4125/4885CYP2C9 3497/4885

“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.