SCHEMBL12821322

SCHEMBL12821322

CCOc1ccc(C2CCC(CCc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.37
▸ APP P05067 1/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ RET P07949 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
SCHEMBL13586544 0.91 KDM1A (0.35) KDM1AAPPNAAAFAAHFFAR4
SCHEMBL12716901 0.90 APP (0.33) APPFFAR4
SCHEMBL12821144 0.88 APP (0.32) APP
SCHEMBL12735140 0.88 KDM1A (0.39) KDM1ANAAAFFAR4FPR2RET
SCHEMBL12735142 0.88 KDM1A (0.40) KDM1ANAAAFFAR4FPR2RET
SCHEMBL14765726 0.88 KDM1A (0.40) KDM1ANAAAFFAR4FPR2RET
SCHEMBL12822955 0.88 NAAA (0.42) KDM1AAPPNAAAFAAHFFAR4
SCHEMBL13586449 0.87 KDM1A (0.39) KDM1AAPPFAAHFFAR4FPR2
SCHEMBL12735126 0.87 KDM1A (0.39) KDM1ANAAAFFAR4FPR2RET
SCHEMBL12735132 0.87 KDM1A (0.38) KDM1ANAAAFFAR4FPR2

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

“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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