SCHEMBL2511963

SCHEMBL2511963

CCCCCC(CC)OS(=O)(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
OPRM1 P35372 1/20 0.34
CA1 P00915 2/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
NR1I2 O75469 1/20 0.31
SMPD1 P17405 3/20 0.31
CA2 P00918 2/20 0.31
ACE2 Q9BYF1 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL318192 0.92 TP53 (0.41) TP53OPRM1CA1NR1I2SMPD1
SCHEMBL8764616 0.90 TP53 (0.39) TP53CA1NR1I2SMPD1CA2
SCHEMBL27647758 0.83 TP53 (0.37) TP53OPRM1CA1NR1I2SMPD1
SCHEMBL28130426 0.82 TP53 (0.42) TP53CA1FAAHSMPD1CA2
SCHEMBL7987581 0.82 TP53 (0.42) TP53CA1FAAHSMPD1CA2
SCHEMBL1655277 0.82 TP53 (0.42) TP53CA1FAAHSMPD1CA2
SCHEMBL7062487 0.82 TP53 (0.42) TP53CA1FAAHSMPD1CA2
SCHEMBL13276078 0.82 TP53 (0.42) TP53CA1FAAHSMPD1CA2
Ammonia Solution, Strong SCHEMBL5446113 0.81 TP53 (0.36) TP53OPRM1CA1NR1I2SMPD1
SCHEMBL28058761 0.81 TP53 (0.40) TP53OPRM1CA1ADH1BADH1C

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
EP-2552399-A1 CARE POLYMERS The Procter & Gamble Company (US) 2013-02-06 EP disclosed
EP-2552997-A1 CARE POLYMERS The Procter & Gamble Company (US) 2013-02-06 EP disclosed
WO-2011123736-A1 CARE POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2011-10-06 WO disclosed
WO-2011123734-A1 CARE POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2011-10-06 WO disclosed
US-20110243874-A1 CARE POLYMERS THE PROCTER & GAMBLE COMPANY 2011-10-06 US disclosed
US-20110243875-A1 CARE POLYMERS THE PROCTER & GAMBLE COMPANY 2011-10-06 US 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 (2 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-20110243875-A1 CARE POLYMERS SMURF1, PUF60, PCBP1 TP53 1325/4885OPRM1 3453/4885CA1 3923/4885
US-20110243874-A1 CARE POLYMERS SMURF1, PUF60, PCBP1 TP53 1325/4885OPRM1 3453/4885CA1 3923/4885

“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.