SCHEMBL12823598

SCHEMBL12823598

CCCC(O)c1ccc(-c2ccc(-c3ccc(COc4ccc(O)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ESR1 P03372 5/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL12823210 0.94 ABCB1 (0.38) FFAR1FAAHESR1FFAR4ABCB1
SCHEMBL10303195 0.89 FFAR1 (0.39) FFAR1FAAHS1PR5ERN1FFAR4
SCHEMBL13586388 0.89 FAAH (0.42) FFAR1FAAHS1PR5ERN1FFAR4
SCHEMBL10303179 0.88 FFAR1 (0.40) FFAR1FAAHS1PR5ERN1FFAR4
SCHEMBL12822822 0.86 KMT2A (0.37) FFAR1FAAHFFAR4
SCHEMBL12821312 0.86 KMT2A (0.37) FFAR1FAAHFFAR4
SCHEMBL12823851 0.86 FFAR1 (0.43) FFAR1FAAH
SCHEMBL12822925 0.86 FFAR4 (0.33) FFAR1FAAHESR1FFAR4MRGPRX4
SCHEMBL12823854 0.86 FFAR4 (0.33) FFAR1FAAHESR1FFAR4MRGPRX4
SCHEMBL12821319 0.85 CYP17A1 (0.39) FFAR1FAAHESR1ERN1FFAR4

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 FFAR1 247/4885FAAH 725/4885ESR1 1665/4885

“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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