SCHEMBL20111285

SCHEMBL20111285

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
SCN9A Q15858 3/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 1/20 0.33
BRD4 O60885 2/20 0.33
KDM1A O60341 2/20 0.33
FGFR2 P21802 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
SCHEMBL20111270 1.00 HPGD (0.36) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20117747 0.93 HPGD (0.36) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20102467 0.91 PTGDR2 (0.37) HPGDALDH1A1PTGDR2FFAR1KDM1A
SCHEMBL20111449 0.91 HPGD (0.37) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20117676 0.91 HPGD (0.34) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20102392 0.89 HTR2A (0.34) HTR2AHTR2CHTR2BPTGDR2SSTR5
SCHEMBL20111302 0.89 HPGD (0.39) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20111318 0.88 HPGD (0.38) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20111715 0.88 HPGD (0.35) HPGDSCN9AHTR2AHTR2CHTR2B
SCHEMBL20117630 0.87 HPGD (0.34) HPGDSCN9AHTR2AHTR2CHTR2B

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 2846/4885HTR2A 791/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S HPGD 4744/4885SCN9A 2846/4885HTR2A 791/4885

“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.