SCHEMBL12823806

SCHEMBL12823806

CCCC(O)c1ccc(-c2ccc(-c3ccc(OCc4ccc(O)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.38
▸ MAOB P27338 3/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ GYS1 P13807 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ SHBG P04278 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
SCHEMBL12823597 0.94 ADRB3 (0.40) FFAR1MAOBMAOAADRB3
SCHEMBL12719262 0.88 FFAR1 (0.43) FFAR1MAOBMAOAMEN1KMT2A
SCHEMBL12823068 0.87 CYP17A1 (0.39) FFAR1MEN1KMT2ACYP17A1
SCHEMBL10303230 0.86 MAOB (0.37) FFAR1MAOBMAOAGYS1
SCHEMBL12822397 0.85 CYP17A1 (0.38) ADRB3CYP17A1SHBG
SCHEMBL12821319 0.85 CYP17A1 (0.39) FFAR1CYP17A1SHBG
SCHEMBL12823807 0.83 FFAR1 (0.35) FFAR1MAOBMAOAGYS1
SCHEMBL12821217 0.83 MEN1 (0.37) FFAR1MEN1KMT2A
SCHEMBL12823848 0.83 MEN1 (0.37) FFAR1MEN1KMT2A
SCHEMBL10303206 0.82 FFAR1 (0.39) FFAR1MAOBMEN1KMT2AGYS1

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 247/4885MAOB 3160/4885MAOA 3183/4885

“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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