SCHEMBL11973508

SCHEMBL11973508

C=C(C)C(C)C(C)CCCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.39
SMPD1 P17405 3/20 0.38
TSHR P16473 2/20 0.38
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL3068808 0.91 ALDH1A1 (0.34) SPHK1MEN1CYP3A4KMT2AOPRM1
SCHEMBL19394028 0.78 MEN1 (0.32) MEN1CYP3A4KMT2AOPRM1FDPS
SCHEMBL9198238 0.77 CA1 (0.50) SPHK1LMNAMEN1CYP3A4KMT2A
SCHEMBL11973104 0.77 CA1 (0.50) SPHK1LMNAMEN1CYP3A4KMT2A
SCHEMBL6037327 0.77 CA1 (0.50) SPHK1LMNAMEN1CYP3A4KMT2A
SCHEMBL11227926 0.77 CA1 (0.50) SPHK1LMNAMEN1CYP3A4KMT2A
SCHEMBL1782449 0.76 CA1 (0.48) OPRM1SMPD1ACE2GPR84FDPS
SCHEMBL13858988 0.75 OPRM1 (0.55) SPHK1LMNAOPRM1SMPD1TSHR
SCHEMBL11486416 0.75 OPRM1 (0.55) SPHK1LMNAOPRM1SMPD1TSHR
SCHEMBL325629 0.75 OPRM1 (0.55) SPHK1LMNAOPRM1SMPD1TSHR

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
EP-2678410-B1 COMPOSIITONS COMPRISING MIXTURES OF C10-C13 ALKYLPHENYL SULFONATES PROCTER & GAMBLE (US) 2017-09-13 EP disclosed
US-9193937-B2 Mixtures of C10-C13 alkylphenyl sulfonates THE PROCTER & GAMBLE COMPANY (US) 2015-11-24 US disclosed
WO-2012138423-A1 COMPOSITIONS COMPRISING MIXTURES OF C10-C13 ALKYLPHENYL SULFONATES THE PROCTER & GAMBLE COMPANY (US) 2012-10-11 WO disclosed
US-20120214724-A1 Mixtures OF C10-C13 Alkylphenyl Sulfonates THE PROCTER & GAMBLE COMPANY 2012-08-23 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 (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-20120214724-A1 Mixtures OF C10-C13 Alkylphenyl Sulfonates SMURF1, C1S, SMURF2 SPHK1 766/4885LMNA 3546/4885MEN1 2731/4885

“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.