SCHEMBL12847893

SCHEMBL12847893

CSCCCOCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12056410 0.85
SCHEMBL12353678 0.79 NPC1 (0.35) SPHK2SPHK1
SCHEMBL11858528 0.79 SPHK1 (0.42) SPHK2SPHK1HSD17B10
SCHEMBL3962044 0.79 SPHK1 (0.38) SPHK2SPHK1HSD17B10
SCHEMBL12555004 0.77 TSHR (0.34) SPHK2SPHK1HSD17B10
SCHEMBL31086433 0.76 SPHK1 (0.44) SPHK2SPHK1HSD17B10
SCHEMBL10119365 0.76 SPHK1 (0.44) SPHK2SPHK1HSD17B10
SCHEMBL20127153 0.76 SPHK2 (0.33) SPHK2SPHK1
SCHEMBL10036614 0.74 CYP3A4 (0.34) SPHK2SPHK1
SCHEMBL723497 0.73 HSD17B10 (0.41) SPHK2SPHK1HSD17B10

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-20110062165-A1 BALANCED INDIVIDUAL DINING PLATE ALLERGAN INC 2011-03-17 US disclosed
US-20090215740-A1 THERAPEUTIC SUBSTITUTED BETA-LACTAMS ALLERGAN, INC. (US) 2009-08-27 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-20090215740-A1 THERAPEUTIC SUBSTITUTED BETA-LACTAMS TUBB, GANAB, TUBB6 SPHK2 3369/4885SPHK1 3150/4885HSD17B10 2446/4885

“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.