SCHEMBL996336

SCHEMBL996336

CCCCCCCCCCCCCCC1COC1CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.49
SPHK2 Q9NRA0 6/20 0.49
ALDH1A1 P00352 2/20 0.48
EPHX1 P07099 1/20 0.41
PRKCA P17252 3/20 0.40
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCI P41743 2/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCZ Q05513 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKD1 Q15139 2/20 0.40
ALOX5 P09917 1/20 0.40
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL21409770 0.85 SPHK2 (0.43) SPHK1SPHK2ALDH1A1PRKCAPRKD3
SCHEMBL29290381 0.83 SPHK1 (0.54) SPHK1SPHK2ALDH1A1EPHX1PRKCA
SCHEMBL25238880 0.79 SPHK1 (0.41) SPHK1SPHK2ALDH1A1PRKCA
SCHEMBL3374623 0.77 SPHK1 (0.40) SPHK1SPHK2ALDH1A1PRKCAPRKD3
SCHEMBL25292573 0.75 SPHK1 (0.44) SPHK1SPHK2ALDH1A1
SCHEMBL23533412 0.74 ALOX5 (0.60) ALDH1A1EPHX1ALOX5LMNAHSD17B10
SCHEMBL6432754 0.74 LMNA (0.46) SPHK1SPHK2ALDH1A1EPHX1PRKCA
SCHEMBL18256605 0.74
SCHEMBL6437114 0.74 LMNA (0.46) SPHK1SPHK2ALDH1A1EPHX1PRKCA
SCHEMBL6436160 0.74 LMNA (0.46) SPHK1SPHK2ALDH1A1EPHX1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304377-B2 Sulfonate surfactants and methods of preparation and use DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-06 US disclosed
US-20110015111-A1 SULFONATE SURFACTANTS AND METHODS OF PREPARATION AND USE DCOMCO, INC. 2011-01-20 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-20110015111-A1 SULFONATE SURFACTANTS AND METHODS OF PREPARATION AND USE STS, SRR, SGMS1 SPHK1 221/4885SPHK2 304/4885ALDH1A1 3530/4885

“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.