SCHEMBL3135166

SCHEMBL3135166

C=CC(C)(Cl)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
TSHR P16473 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL8075414 0.82 TSHR (0.38) TSHRCYP3A4ALDH1A1KDM4EMEN1
SCHEMBL7663273 0.81 CYP4F2 (0.44) PKMCYP4F2CYP4A11TSHRABCB11
SCHEMBL20098855 0.81 PKM (0.46) PKMCYP4F2CYP4A11TSHRABCB11
SCHEMBL2915795 0.78 PKM (0.43) PKMCYP4F2CYP4A11TSHRABCB11
SCHEMBL79003 0.78 PKM (0.43) PKMCYP4F2CYP4A11TSHRABCB11
SCHEMBL3135439 0.77 PKM (0.42) PKMCYP4F2CYP4A11TSHRABCB11
SCHEMBL26295367 0.76 MGAM (0.44) PKMCYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL7667823 0.76
SCHEMBL13892163 0.75 PKM (0.41) PKMCYP4F2CYP4A11TSHRABCB11
SCHEMBL9796967 0.75 PKM (0.41) PKMCYP4F2CYP4A11TSHRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697388-B1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF SE (DE) 2010-07-21 EP disclosed
US-7547807-B2 Method for producing phosphonium salts BASF SE (DE) 2009-06-16 US disclosed
US-20070123726-A1 Method for producing phosphonium salts BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2007-05-31 US disclosed
EP-1697388-A1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 EP disclosed
WO-2005058924-A1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2005-06-30 WO disclosed
CN-1124257-C 2-chloro-2-methyl-3-crotonization and 2-chloro-2-methyl-3-alkyl butenate HOFFMANN LA ROCHE (CH) 2003-10-15 CN disclosed
CN-1080266-C Preparation of Wittig ester salts HOFFMANN LA ROCHE (CH) 2002-03-06 CN disclosed
CN-1269356-A 2-chloro-2-methyl-3-crotonization and 2-chloro-2-methyl-3-alkyl butenate HOFFMANN LA ROCHE (CH) 2000-10-11 CN disclosed
US-5777149-A Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts ROCHE VITAMINS INC. (US) 1998-07-07 US disclosed
US-5681977-A Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts ROCHE VITAMINS INC. (US) 1997-10-28 US disclosed
US-5631398-A Method for the production of (3-alkoxycarbonyl-2-butenyl) triphenylphosphonium salts ROCHE VITAMINS INC. (US) 1997-05-20 US disclosed
US-5502236-A Method for the production of (3-alkoxycarbonyl-2-butenyl)triphenylphosphonium salts HOFFMANN-LA ROCHE INC. (US) 1996-03-26 US disclosed
CN-1115762-A Preparation of Wittig ester salts HOFFMANN LA ROCHE (CH) 1996-01-31 CN 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-20070123726-A1 Method for producing phosphonium salts PHOSPHO1, PLIN5, SQLE PKM 1118/4885CYP4F2 1035/4885CYP4A11 1177/4885

“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.