SCHEMBL12823376

SCHEMBL12823376

CCCC(O)C1CCC(c2ccc(COc3ccc(-c4ccc(O)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.38
▸ ESR1 P03372 5/20 0.34
▸ ESR2 Q92731 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ GYS1 P13807 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL12823788 0.95 FFAR4 (0.38) FFAR4ESR1FFAR1GYS1MAOA
SCHEMBL12823186 0.92 FFAR4 (0.38) FFAR4ESR1NR1H4FFAR1MAOA
SCHEMBL12823826 0.88 FFAR4 (0.37) FFAR4MAOAMAOB
SCHEMBL12822369 0.88 FFAR4 (0.37) FFAR4MAOAMAOB
SCHEMBL12823258 0.87 HCAR2 (0.35) FFAR4ESR1ESR2
SCHEMBL12823205 0.87 FFAR4 (0.35) FFAR4NR1H4FFAR1MAOAMAOB
SCHEMBL12822628 0.86 FFAR4 (0.35) FFAR4ESR1ESR2NR1H4GYS1
SCHEMBL12822391 0.86 FFAR4 (0.36) FFAR4NR1H4FFAR1MAOAMAOB
SCHEMBL12822804 0.86 FFAR4 (0.37) FFAR4ESR1
SCHEMBL12823118 0.86 FFAR4 (0.37) FFAR4ESR1

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 546/4885ESR1 1665/4885ESR2 1733/4885

“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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