SCHEMBL12823853

SCHEMBL12823853

CCCC(O)c1ccc(-c2ccc(-c3ccc(OCc4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FFAR1 O14842 5/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ FFAR4 Q5NUL3 3/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CACNA1C Q13936 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL12823334 0.96 MEN1 (0.42) MEN1KMT2AFFAR1PTGS2FFAR4
SCHEMBL12823817 0.90 ESR1 (0.40) MEN1KMT2AFFAR1MAOB
SCHEMBL10303207 0.90 FFAR1 (0.39) MEN1KMT2AFFAR1PTGS2DRD2
SCHEMBL12719296 0.89 FFAR1 (0.36) MEN1KMT2AFFAR1FFAR4MAOB
SCHEMBL12718554 0.88 MEN1 (0.40) MEN1KMT2AFFAR1PTGS2FFAR4
SCHEMBL12822966 0.87 ACACA (0.35) MEN1KMT2AFFAR1FFAR4MAOB
SCHEMBL10303206 0.86 FFAR1 (0.39) MEN1KMT2AFFAR1PTGS2MAOB
SCHEMBL12823077 0.86 ESR1 (0.39) MEN1KMT2AFFAR1MAOB
SCHEMBL14767038 0.86 FFAR1 (0.45) MEN1KMT2AFFAR1FFAR4MAOB
SCHEMBL13586553 0.86 MEN1 (0.41) MEN1KMT2AFFAR1FFAR4DRD2

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 MEN1 2496/4885KMT2A 1271/4885FFAR1 247/4885

“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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