SCHEMBL20176145

SCHEMBL20176145

CCCCC(CC)(CO)COC

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL24113775 0.91 SPHK2 (0.39) SPHK2SPHK1
SCHEMBL5077263 0.91 SPHK2 (0.39) SPHK2SPHK1
SCHEMBL1276923 0.87 SPHK2 (0.31) SPHK2SPHK1
SCHEMBL13864565 0.87 SPHK2 (0.31) SPHK2SPHK1
SCHEMBL17219655 0.85 TSHR (0.33)
SCHEMBL24113758 0.85 SPHK2 (0.41) SPHK2SPHK1
SCHEMBL11276646 0.83 TSHR (0.32)
SCHEMBL21161 0.82 ALDH1A1 (0.38)
SCHEMBL6556705 0.82 ALDH1A1 (0.30)
SCHEMBL251421 0.82 ALDH1A1 (0.38)

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-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-06-27 US disclosed
US-20180142152-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2018-05-24 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-11685863-B2 Polymerisable compounds and the use thereof in liquid-crystal displays LPXN, VCL, LCP1 SPHK2 1848/4885SPHK1 1865/4885

“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.