SCHEMBL20111342

SCHEMBL20111342

CCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(C3CCCCC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
SCN9A Q15858 5/20 0.36
SCN5A Q14524 2/20 0.36
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HPGD P15428 1/20 0.33
PTGER1 P34995 2/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL20102568 0.90 CNR2 (0.33) ALOX5APFEN1SCN9ASCN5AHTR2A
SCHEMBL20111289 0.89 SLC6A4 (0.35) ALOX5APFEN1SLC6A4HTR6HTR2A
SCHEMBL20111364 0.86 ALOX5AP (0.39) ALOX5APFEN1SCN9ASCN5A
SCHEMBL20111512 0.85 CYP19A1 (0.34) ALOX5APFEN1SLC6A4HTR6HTR2A
SCHEMBL20111329 0.84 OPRL1 (0.40) ALOX5APFEN1
SCHEMBL20111583 0.84 PTGDR2 (0.39) ALOX5APFEN1PTGDR2HPGD
SCHEMBL20102455 0.84 PTGDR2 (0.39) ALOX5APFEN1PTGDR2HPGD
SCHEMBL20102519 0.83 HTR2A (0.34) HTR2AHTR2CHTR2BHPGDPTGER1
SCHEMBL20102392 0.83 HTR2A (0.34) PTGDR2HTR2AHTR2CHTR2B
SCHEMBL20102419 0.83 ALDH1A1 (0.38) HTR2AHTR2C

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 ALOX5AP 2002/4885FEN1 1547/4885SCN9A 2846/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S ALOX5AP 2002/4885FEN1 1547/4885SCN9A 2846/4885

“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.