SCHEMBL20111289

SCHEMBL20111289

CCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(OCC3CCCCC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
PDK2 Q15119 2/20 0.35
PTGER1 P34995 3/20 0.35
C5AR1 P21730 1/20 0.34
CYP19A1 P11511 2/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HPGD P15428 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL20102392 0.94 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL20102571 0.91 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL20111364 0.90 ALOX5AP (0.39) ALOX5APFEN1
SCHEMBL20111514 0.89 CYP1A2 (0.37) SLC6A4HTR6PDK2PTGER1C5AR1
SCHEMBL20102467 0.89 PTGDR2 (0.37) SLC6A4HTR6C5AR1HPGD
SCHEMBL20111512 0.89 CYP19A1 (0.34) SLC6A4HTR6PDK2PTGER1C5AR1
SCHEMBL20111342 0.89 ALOX5AP (0.39) SLC6A4HTR6PDK2PTGER1HTR2A
SCHEMBL20102574 0.88 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL20102519 0.87 HTR2A (0.34) PTGER1HTR2AHTR2CHTR2BHPGD
SCHEMBL20117626 0.86 KDM1A (0.33) HTR2AHTR2CHTR2B

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 SLC6A4 2219/4885HTR6 2692/4885PDK2 2502/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S SLC6A4 2219/4885HTR6 2692/4885PDK2 2502/4885

“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.