SCHEMBL20111449

SCHEMBL20111449

CCOc1ccc2c(c1Cl)-c1c-2cc(OCC2CCC(C)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
SCN9A Q15858 2/20 0.33
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
HTR2A P28223 2/20 0.32
SLC6A4 P31645 1/20 0.32
HTR6 P50406 1/20 0.32
KCNT1 Q5JUK3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRD4 O60885 2/20 0.31
PDE4B Q07343 1/20 0.31
KDM1A O60341 2/20 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
SCHEMBL20111285 0.91 HPGD (0.36) HPGDSCN9AHTR2CHTR2BHTR2A
SCHEMBL20111270 0.91 HPGD (0.36) HPGDSCN9AHTR2CHTR2BHTR2A
SCHEMBL20102462 0.90 HTR2C (0.32) HTR2CHTR2BHTR2APTGDR2SSTR5
SCHEMBL20111302 0.85 HPGD (0.39) HPGDSCN9AHTR2CHTR2BHTR2A
SCHEMBL20117747 0.84 HPGD (0.36) HPGDSCN9AHTR2CHTR2BHTR2A
SCHEMBL20117601 0.83 SCN9A (0.36) HPGDSCN9AHTR2CHTR2BHTR2A
SCHEMBL20111240 0.82 SCN9A (0.35) HPGDSCN9AHTR2CHTR2BHTR2A
SCHEMBL20117676 0.82 HPGD (0.34) HPGDSCN9AHTR2CHTR2BHTR2A
SCHEMBL20102467 0.82 PTGDR2 (0.37) HPGDSLC6A4HTR6ALDH1A1PTGDR2
SCHEMBL20102392 0.81 HTR2A (0.34) HTR2CHTR2BHTR2APTGDR2SSTR5

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S HPGD 4744/4885SCN9A 2846/4885HTR2C 134/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S HPGD 4744/4885SCN9A 2846/4885HTR2C 134/4885

“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.