SCHEMBL12740893

SCHEMBL12740893

CCCC1CCC(c2ccc(-c3ccc(COc4ccc(CC)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.36
ALOX5AP P20292 5/20 0.36
HTR6 P50406 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR1A P08908 2/20 0.36
S1PR5 Q9H228 2/20 0.35
S1PR1 P21453 1/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 1/20 0.35
GRM2 Q14416 1/20 0.34
FFAR1 O14842 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL12736395 0.92 HTR6 (0.36) FEN1ALOX5APHTR6SLC6A2SLC6A4
SCHEMBL12740891 0.92 HTR6 (0.35) FEN1ALOX5APHTR6SLC6A2SLC6A4
SCHEMBL12740889 0.91 MRGPRX4 (0.39) FEN1ALOX5APHTR6SLC6A2SLC6A4
SCHEMBL12740894 0.91 RARB (0.35) FEN1ALOX5APHTR6SLC6A2SLC6A4
SCHEMBL12740904 0.90 PPARD (0.40) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740885 0.89 HTR6 (0.38) FEN1ALOX5APHTR6SLC6A2SLC6A4
SCHEMBL12736239 0.88 FEN1 (0.36) FEN1ALOX5APHTR6SLC6A2SLC6A4
SCHEMBL12740818 0.88 FEN1 (0.36) FEN1ALOX5APHTR6SLC6A2SLC6A4
SCHEMBL12740416 0.88 PPARD (0.40) HTR6PPARDPPARAFFAR1FFAR4
SCHEMBL12740863 0.88 FFAR1 (0.40) PPARDPPARAFFAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FEN1 3340/4885ALOX5AP 1673/4885HTR6 3165/4885

“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.