SCHEMBL12822955

SCHEMBL12822955

CCOc1ccc(C2CCC(OCc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 5/20 0.42
▸ KDM1A O60341 2/20 0.38
▸ APP P05067 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ ACACB O00763 1/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ RET P07949 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL12821346 0.91 NAAA (0.34) NAAAAPPFFAR4
SCHEMBL13586129 0.90 NAAA (0.40) NAAAKDM1AAPPFAAHACACB
SCHEMBL12823254 0.89 NAAA (0.33) NAAAAPPACACB
SCHEMBL12736785 0.88 NAAA (0.43) NAAAKDM1AFAAHFPR2FFAR4
SCHEMBL12736786 0.88 NAAA (0.45) NAAAKDM1AFPR2FFAR4RET
SCHEMBL14765857 0.88 NAAA (0.45) NAAAKDM1AFPR2FFAR4
SCHEMBL12821322 0.88 KDM1A (0.37) NAAAKDM1AAPPFAAHACACB
SCHEMBL12716349 0.87 KDM1A (0.41) NAAAKDM1AAPPFAAHACACB
SCHEMBL12736778 0.87 NAAA (0.44) NAAAKDM1AFPR2FFAR4RET
SCHEMBL10303312 0.87 KDM1A (0.42) NAAAKDM1AFAAHACACB

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 NAAA 3997/4885KDM1A 937/4885APP 2200/4885

“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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