SCHEMBL20111302

SCHEMBL20111302

CCOc1cc2c(c(F)c1F)-c1c-2ccc(OCC2CCC(C)CC2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 2/20 0.32
KDM1A O60341 2/20 0.32
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
RIPK1 Q13546 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
SSTR5 P35346 1/20 0.30
KCNH2 Q12809 1/20 0.30
PDK2 Q15119 1/20 0.30
BRD4 O60885 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
SCHEMBL20111318 0.91 HPGD (0.38) HPGDHTR2AHTR2CHTR2BGRM2
SCHEMBL20111285 0.89 HPGD (0.36) HPGDHTR2AHTR2CHTR2BALDH1A1
SCHEMBL20111270 0.89 HPGD (0.36) HPGDHTR2AHTR2CHTR2BALDH1A1
SCHEMBL20117739 0.86 HPGD (0.36) HPGDGRM2SCN9ATRPV1RIPK1
SCHEMBL20111449 0.85 HPGD (0.37) HPGDHTR2AHTR2CHTR2BALDH1A1
SCHEMBL20111317 0.82 GRM2 (0.33) HPGDHTR2AHTR2CHTR2BGRM2
SCHEMBL20117747 0.82 HPGD (0.36) HPGDHTR2AHTR2CHTR2BSCN9A
SCHEMBL20117601 0.81 SCN9A (0.36) HPGDHTR2AHTR2CHTR2BGRM2
SCHEMBL20102392 0.81 HTR2A (0.34) HTR2AHTR2CHTR2BKDM1ARIPK1
SCHEMBL20102521 0.81 HTR2A (0.33) HPGDHTR2AHTR2CHTR2BGRM2

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 3 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
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 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 (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 4744/4885HTR2A 791/4885HTR2C 134/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S HPGD 4744/4885HTR2A 791/4885HTR2C 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.