SCHEMBL21232298

SCHEMBL21232298

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(-c4ccc(C5CCC(CCCCC)CC5)cc4)c(CC)c3)cc2CC)ccc1OCCC(C)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.32
TSHR P16473 2/20 0.31
PPARD Q03181 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
SCHEMBL18646387 0.99 FFAR4 (0.31) FFAR4TSHR
SCHEMBL21231963 0.96 FFAR4 (0.32) FFAR4PPARD
SCHEMBL21115534 0.96 FFAR4 (0.32) FFAR4PPARD
SCHEMBL21231981 0.93 FFAR4 (0.32) FFAR4TSHR
SCHEMBL21115591 0.93 FFAR4 (0.32) FFAR4TSHR
SCHEMBL21231954 0.92 TSHR (0.30) TSHR
SCHEMBL21231998 0.92 TSHR (0.30) TSHR
SCHEMBL21232211 0.92 TSHR (0.30) TSHR
SCHEMBL21115971 0.92 FFAR4 (0.32) FFAR4TSHR
SCHEMBL21231958 0.92 FFAR4 (0.32) FFAR4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3521401-B1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
US-20190241809-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2019-08-08 US disclosed
EP-3521401-A1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA Merck Patent GmbH (DE) 2019-08-07 EP 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-20190241809-A1 COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA NEFM, MDN1, VCL FFAR4 2059/4885TSHR 4063/4885PPARD 4171/4885

“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.