SCHEMBL12822822

SCHEMBL12822822

CCCC(O)c1ccc(-c2ccc(-c3ccc(COc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ FAAH O00519 3/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL12821312 1.00 KMT2A (0.37) KMT2AMEN1FAAHFFAR4MAPT
SCHEMBL13586388 0.93 FAAH (0.42) FAAHFFAR4MAPTSMN1; SMN2KDM4E
SCHEMBL10303179 0.92 FFAR1 (0.40) FAAHFFAR4MAPTSMN1; SMN2KDM4E
SCHEMBL12822925 0.92 FFAR4 (0.33) KMT2AMEN1FAAHFFAR4MAPT
SCHEMBL12823854 0.92 FFAR4 (0.33) KMT2AMEN1FAAHFFAR4MAPT
SCHEMBL10302845 0.91 FFAR4 (0.35) KMT2AFAAHFFAR4MAPTSMN1; SMN2
SCHEMBL12823210 0.89 ABCB1 (0.38) FAAHFFAR4FFAR1PTGS2
SCHEMBL12823851 0.88 FFAR1 (0.43) KMT2AMEN1FAAHFFAR1
SCHEMBL12823066 0.87 GABRA1 (0.33) KMT2AMEN1FFAR4
SCHEMBL12821319 0.87 CYP17A1 (0.39) FAAHFFAR4MAPTKDM4EFFAR1

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 KMT2A 1271/4885MEN1 2496/4885FAAH 725/4885

“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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