SCHEMBL12823170

SCHEMBL12823170

CCCC(O)c1ccc(-c2ccc(OCC3CCC(c4ccc(O)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ IL5 P05113 1/20 0.33
▸ PDE4B Q07343 3/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 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
SCHEMBL12823051 0.93 ACACB (0.35) HTR2AHTR2CCNR2IL5PDE4B
SCHEMBL12717425 0.90 FFAR1 (0.36) HTR2APDE4DACACB
SCHEMBL12822815 0.88 CNR2 (0.34) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL12821163 0.88 CNR2 (0.33) CNR2IL5PDE4BPDE4APDE4C
SCHEMBL12823829 0.88 CNR2 (0.33) CNR2IL5PDE4BPDE4APDE4C
SCHEMBL13586560 0.88 PDE4B (0.33) HTR2AHTR2CCNR2PDE4BPDE4A
SCHEMBL10303143 0.85 HTR2A (0.38) HTR2AHTR2CCNR2SCN9A
SCHEMBL12823104 0.85 FFAR1 (0.33) ACACB
SCHEMBL12821176 0.85 ACACB (0.34) ACACB
SCHEMBL12822498 0.84 ACACB (0.38) PDE4DACACB

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 HTR2A 841/4885HTR2C 253/4885CNR2 686/4885

“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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