SCHEMBL3043679

SCHEMBL3043679

CCCC[P+](C)(CCCC)CCCC.CCOS(=O)(=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
BLM P54132 1/20 0.47
TP53 P04637 1/20 0.38
CA1 P00915 14/20 0.33
CA2 P00918 13/20 0.33
CA9 Q16790 8/20 0.32
OPRM1 P35372 1/20 0.32
CA12 O43570 4/20 0.31
CA7 P43166 4/20 0.31
CA14 Q9ULX7 4/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31

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
SCHEMBL26929049 0.86 RECQL (0.48) RECQLGLAHPGDTSHRMAPK1
SCHEMBL715412 0.83 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL29057711 0.83 RECQL (0.72) RECQLGLAHPGDTSHRMAPK1
Sulfuric Acid SCHEMBL29270371 0.83 TP53 (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4423161 0.82 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1
Phosphine SCHEMBL27994932 0.82 RECQL (0.39) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1293511 0.81 TP53 (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL26929070 0.80 CA1 (0.43) RECQLGLAHPGDTSHRMAPK1
Tetradecane SCHEMBL22410468 0.79 RECQL (0.72) RECQLGLAHPGDTSHRMAPK1
SCHEMBL27203256 0.78 RECQL (0.37) RECQLGLAHPGDTSHRMAPK1

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-20100222580-A1 Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content MERCK PATENT GMBH (DE) 2010-09-02 US disclosed
EP-1828142-B1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT MERCK PATENT GMBH (DE) 2010-06-02 EP disclosed
EP-1828142-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT Merck Patent GmbH (DE) 2007-09-05 EP disclosed
WO-2006063654-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 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-20100222580-A1 Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content STS, MRPS35, ARSA RECQL 4712/4885GLA 2666/4885HPGD 4843/4885

“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.