SCHEMBL12821099

SCHEMBL12821099

CCOc1ccc(C2CCC(c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ KDM1A O60341 2/20 0.33
▸ ALOX5AP P20292 3/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12823527 0.93 CNR2 (0.40) ALOX5APFEN1
SCHEMBL12822791 0.93 CNR2 (0.40) ALOX5APFEN1
SCHEMBL12823680 0.89 HPGD (0.41) ACACBIDO1FFAR4LMNASMN1; SMN2
SCHEMBL13586146 0.89 HPGD (0.41) ACACBIDO1FFAR4LMNASMN1; SMN2
SCHEMBL12823458 0.89 ACACB (0.35) ACACBIDO1
SCHEMBL13586070 0.88 KDM1A (0.46) ACACBKDM1AFPR2FFAR4
SCHEMBL17616210 0.88 IDO1 (0.36) ACACBIDO1KDM1AALOX5APFEN1
SCHEMBL12716276 0.88 LNPEP (0.31) ACACBFFAR4
SCHEMBL12823159 0.88 LNPEP (0.31) ACACBFFAR4
SCHEMBL13586526 0.88 S1PR1 (0.30) ACACB

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 ACACB 3260/4885IDO1 1869/4885KDM1A 937/4885

“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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