SCHEMBL12823334

SCHEMBL12823334

CCCC(O)c1ccc(-c2ccc(COc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGS2 P35354 2/20 0.40
▸ FFAR1 O14842 5/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ PPARD Q03181 1/20 0.35
▸ APP P05067 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ HMOX1 P09601 1/20 0.35
▸ CACNA1C Q13936 1/20 0.34
▸ MAOB P27338 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
SCHEMBL12823853 0.96 MEN1 (0.43) MEN1KMT2APTGS2FFAR1FFAR4
SCHEMBL12823077 0.91 ESR1 (0.39) MEN1KMT2AFFAR1APPCYP2C19
SCHEMBL10303194 0.90 FFAR1 (0.39) MEN1KMT2APTGS2FFAR1FFAR4
SCHEMBL12822069 0.89 FFAR1 (0.35) MEN1KMT2APTGS2FFAR1FFAR4
SCHEMBL13586553 0.89 MEN1 (0.41) MEN1KMT2AFFAR1FFAR4DRD2
SCHEMBL13586138 0.89 PTGS2 (0.44) PTGS2FFAR1FFAR4PPARDAPP
SCHEMBL12822962 0.88 PTGS2 (0.39) MEN1KMT2APTGS2FFAR1FFAR4
SCHEMBL12823072 0.88 S1PR1 (0.33) MEN1KMT2APTGS2FFAR1FFAR4
SCHEMBL14766204 0.87 FFAR1 (0.43) MEN1KMT2APTGS2FFAR1FFAR4
SCHEMBL12823817 0.86 ESR1 (0.40) MEN1KMT2AFFAR1APPCYP2C19

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 2 patents. 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 1271/4885PTGS2 3919/4885

“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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