SCHEMBL17614828

SCHEMBL17614828

CCCCCC(F)(F)C1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
TLR4 O00206 2/20 0.31
GNAO1 P09471 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL7505717 0.95 CYP1A2 (0.35) CYP1A2TLR4LMNAMAPK1HTT
SCHEMBL17614834 0.90 CYP1A2 (0.31) CYP1A2CES2LPAR1LPAR3
SCHEMBL7504973 0.87 TLR4 (0.33) TLR4
SCHEMBL17614825 0.84 CYP1A2 (0.31) CYP1A2
SCHEMBL7516462 0.82 TLR4 (0.34) CYP1A2TLR4
SCHEMBL17614837 0.81 CYP1A2 (0.39) CYP1A2LMNAMAPK1HTT
SCHEMBL17614847 0.79 CYP1A2 (0.45) CYP1A2LMNAMAPK1HTT
SCHEMBL9151186 0.77 TLR4 (0.36) CYP1A2TLR4
SCHEMBL6058639 0.77 TLR4 (0.36) CYP1A2TLR4
SCHEMBL9416793 0.77 CYP1A2 (0.50) CYP1A2TLR4GNAO1LMNAMAPK1

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-9580652-B2 Liquid crystal compound, liquid crystal composition including the same and liquid crystal display including the liquid crystal composition SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160083653-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 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 (1 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-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING THE LIQUID CRYSTAL COMPOSITION NAP1L1, SLFN12, RCC2 CYP1A2 660/4885TLR4 4448/4885GNAO1 1517/4885

“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.