SCHEMBL12736239

SCHEMBL12736239

CCCC1CCC(c2ccc(OCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.36
ALOX5AP P20292 6/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
HTR1A P08908 3/20 0.36
FFAR4 Q5NUL3 2/20 0.34
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
FPR2 P25090 1/20 0.32
HTR6 P50406 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
SCHEMBL12740818 1.00 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL8934887 0.93 FPR2 (0.35) FEN1ALOX5APFFAR4ALDH1A1MAPT
SCHEMBL1574427 0.93 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740809 0.93 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12736217 0.93 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740820 0.93 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12736219 0.92 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740810 0.92 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740817 0.91 FEN1 (0.38) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12736238 0.91 FEN1 (0.38) FEN1ALOX5APSLC6A2SLC6A4SLC6A3

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-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

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 1673/4885SLC6A2 3580/4885

“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.