SCHEMBL20111303

SCHEMBL20111303

CCCC1CCC(COc2ccc3c(c2C(F)(F)F)-c2c-3cc(O)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 2/20 0.33
PDK2 Q15119 1/20 0.32
RBP4 P02753 2/20 0.31
TTR P02766 2/20 0.31
PTGER1 P34995 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
HPGD P15428 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
SYK P43405 1/20 0.30
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30
PDE4D Q08499 2/20 0.30
SLC6A9 P48067 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
SCHEMBL20111269 0.90 HTR2A (0.33) HTR2AHTR2CHTR2BPDK2PTGER1
SCHEMBL20102521 0.88 HTR2A (0.33) GRM2HTR2AHTR2CHTR2BPDK2
SCHEMBL20111317 0.81 GRM2 (0.33) GRM2HTR2AHTR2CHTR2BPTGER1
SCHEMBL20111302 0.80 HPGD (0.39) GRM2HTR2AHTR2CHTR2BPDK2
SCHEMBL20102463 0.80 GRM2 (0.32) GRM2PTGER1
SCHEMBL20102519 0.78 HTR2A (0.34) HTR2AHTR2CHTR2BPTGER1HPGD
SCHEMBL20102392 0.78 HTR2A (0.34) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL20111289 0.77 SLC6A4 (0.35) HTR2AHTR2CHTR2BPDK2PTGER1
SCHEMBL20102515 0.77 RIPK1 (0.35) HTR2AHTR2CHTR2BPTGER1KDM5A
SCHEMBL20111716 0.76 SCN9A (0.36) HTR2AHTR2CHTR2BKDM5AKDM4C

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 GRM2 3967/4885HTR2A 791/4885HTR2C 134/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S GRM2 3967/4885HTR2A 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.