SCHEMBL12823347

SCHEMBL12823347

CC(O)c1ccc(-c2ccc(COc3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 10/20 0.33
▸ ACACA Q13085 1/20 0.32
▸ S1PR3 Q99500 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ GYS1 P13807 3/20 0.31
▸ FFAR1 O14842 2/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL13586329 1.00 FFAR4 (0.33) FFAR4ACACAS1PR3S1PR5GYS1
SCHEMBL12821221 0.91 ACACA (0.33) FFAR4ACACAS1PR3S1PR5GYS1
SCHEMBL13654164 0.91 ACACA (0.38) FFAR4ACACAGYS1FFAR1
SCHEMBL12994821 0.91 FFAR4 (0.33) FFAR4S1PR3S1PR5GYS1FFAR1
SCHEMBL12718885 0.88 MEN1 (0.33) FFAR4
SCHEMBL12821216 0.88 MEN1 (0.33) FFAR4
SCHEMBL12823287 0.86 FFAR4 (0.37) FFAR4ACACAGYS1FFAR1ESR1
SCHEMBL12821213 0.86 FFAR4 (0.35) FFAR4GYS1FFAR1
SCHEMBL12906999 0.86 FFAR4 (0.36) FFAR4GYS1FFAR1
SCHEMBL13586184 0.86 FFAR4 (0.35) FFAR4GYS1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FFAR4 546/4885ACACA 2882/4885S1PR3 757/4885

“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.

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