SCHEMBL12823722

SCHEMBL12823722

CCCC(O)c1ccc(-c2ccc(-c3ccc(C(=O)Oc4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ PTGS2 P35354 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ FFAR1 O14842 5/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.38
▸ PPARD Q03181 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FAAH O00519 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 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
SCHEMBL12824001 0.90 FAAH (0.38) MAPTFFAR1FFAR4MEN1KMT2A
SCHEMBL12823953 0.89 PTGS2 (0.42) MAPTPTGS2THRBFFAR1FFAR4
SCHEMBL12823727 0.89 FAAH (0.36) MAPTFFAR1FFAR4PPARDFAAH
SCHEMBL12821297 0.89 FAAH (0.42) MAPTPTGS2THRBFFAR1PPARD
SCHEMBL13586362 0.89 FAAH (0.38) MAPTPTGS2THRBFFAR1FFAR4
SCHEMBL12822091 0.88 FAAH (0.36) MAPTPTGS2THRBMEN1KMT2A
SCHEMBL14767138 0.88 MAPT (0.48) MAPTTHRBFFAR1FFAR4PPARD
SCHEMBL12823717 0.87 TAS1R3 (0.36) FAAHTAS1R3TAS1R1
SCHEMBL12742782 0.86 MAPT (0.45) MAPTTHRBFFAR1FFAR4PPARD
SCHEMBL12717319 0.85 S1PR1 (0.36) MAPTPTGS2FFAR1FFAR4FAAH

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 MAPT 1075/4885PTGS2 3919/4885THRB 2847/4885

“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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