SCHEMBL8933669

SCHEMBL8933669

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(OC/C=C/C)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.34
HTR2B P41595 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HTR2A P28223 3/20 0.33
FASN P49327 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 1/20 0.31
HCRTR2 O43614 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
SCHEMBL12999623 0.89 CYP3A4 (0.31) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8959470 0.87 PDE4A (0.32) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8933520 0.87 HTR2C (0.35) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8932941 0.87 HTR2C (0.35) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL13000519 0.86 FASN (0.30) FASNCYP3A4CYP2C9APP
SCHEMBL8933399 0.85 HTR2C (0.35) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8959373 0.84 HTR2C (0.33) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8958968 0.84 HTR2C (0.33) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL12999671 0.83 FASN (0.39) HTR2CHTR2BPDE4APDE4BPDE4C
SCHEMBL8933799 0.83 HTR2C (0.33) HTR2CHTR2BPDE4APDE4BPDE4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 HTR2C 447/4885HTR2B 1261/4885PDE4A 1397/4885

“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.