SCHEMBL12482674

SCHEMBL12482674

CCCCC(O)C(CC)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SPHK2 Q9NRA0 2/20 0.37
▸ CETP P11597 2/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ CA2 P00918 5/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL18249947 0.86 LMNA (0.44) SPHK1SPHK2CETPLMNATSHR
SCHEMBL1630183 0.78 SPHK1 (0.52) SPHK1ALDH1A1SPHK2CETPCYP2D6
SCHEMBL12841553 0.78 TSHR (0.35) SPHK1SPHK2CETPTSHR
SCHEMBL21428085 0.77 SPHK1 (0.55) SPHK1SPHK2CETPCYP2D6GMNN
SCHEMBL15057401 0.77 SPHK1 (0.55) SPHK1SPHK2CETPCYP2D6GMNN
SCHEMBL21636787 0.77 SPHK1 (0.55) SPHK1SPHK2CETPCYP2D6GMNN
SCHEMBL21636792 0.75 SPHK1 (0.52) SPHK1SPHK2CETPCYP2D6GMNN
Hydrochloric Acid SCHEMBL7612591 0.75 SPHK1 (0.53) SPHK1SPHK2CETPCYP2D6GMNN
SCHEMBL28874947 0.74 ALDH1A1 (0.34) SPHK1ALDH1A1SPHK2CETPCYP3A4
SCHEMBL600713 0.74 SPHK1 (0.52) SPHK1ALDH1A1CETPCYP2D6GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140469-B Quaternary ammonium polyhydroxy compounds and their use in personal care compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-02 — — CN disclosed
EP-2621890-B1 QUATERNARY AMMONIUM POLYHYDROXYL COMPOUNDS AND THEIR USE IN PERSONAL CARE COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-07-22 — — EP disclosed
EP-2621890-A1 QUATERNARY AMMONIUM POLYHYDROXYL COMPOUNDS AND THEIR USE IN PERSONAL CARE COMPOSITIONS Dow Global Technologies LLC (US) 2013-08-07 — — EP disclosed
US-20130178542-A1 MONOCATIONIC POLYHYDROXYL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-07-11 — — US disclosed
CN-103140469-A Quaternary ammonium polyhydroxy compounds and their use in personal care compositions DOW GLOBAL TECHNOLOGIES LLC 2013-06-05 — — CN disclosed
WO-2012050769-A1 QUATERNARY AMMONIUM POLYHYDROXYL COMPOUNDS AND THEIR USE IN PERSONAL CARE COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-19 — — 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-20130178542-A1 MONOCATIONIC POLYHYDROXYL COMPOUNDS CUTA, PAH, PARG SPHK1 4435/4885ALDH1A1 1105/4885SPHK2 4242/4885

“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.

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