SCHEMBL12823597

SCHEMBL12823597

CCCC(O)c1ccc(-c2ccc(-c3ccc(COc4ccc(O)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.40
▸ FFAR1 O14842 4/20 0.38
▸ MAOB P27338 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL12823806 0.94 FFAR1 (0.38) ADRB3FFAR1MAOBMAOA
SCHEMBL12823851 0.88 FFAR1 (0.43) FFAR1
SCHEMBL12821319 0.87 CYP17A1 (0.39) FFAR1MAPK1MAPTKDM4E
SCHEMBL10303091 0.86 FFAR1 (0.39) ADRB3FFAR1MAOBMAOAMAPK1
SCHEMBL12823068 0.85 CYP17A1 (0.39) FFAR1MAPT
SCHEMBL13586473 0.83 FFAR1 (0.38) FFAR1MAOBF10
SCHEMBL12822397 0.83 CYP17A1 (0.38) ADRB3
SCHEMBL12822925 0.83 FFAR4 (0.33) FFAR1MAPK1MAPTKDM4EMCL1
SCHEMBL12823854 0.83 FFAR4 (0.33) FFAR1MAPK1MAPTKDM4EMCL1
SCHEMBL10303195 0.82 FFAR1 (0.39) FFAR1MAPK1MAPTKDM4E

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 ADRB3 1116/4885FFAR1 247/4885MAOB 3160/4885

“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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