SCHEMBL12737293

SCHEMBL12737293

CCCCOc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.35
SCN9A Q15858 1/20 0.35
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
TSHR P16473 2/20 0.35
RARB P10826 1/20 0.34
HPGD P15428 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 3/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL12742269 1.00 PPARD (0.35) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12742278 0.97 ALOX5AP (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12737299 0.97 ALOX5AP (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12742285 0.96 PTPN11 (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12737300 0.96 PTPN11 (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12742289 0.96 PTPN11 (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12742292 0.96 PTPN11 (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12737296 0.96 PTPN11 (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL12737294 0.96 PTPN11 (0.34) PPARDSCN9AALOX5APFEN1TSHR
SCHEMBL14767217 0.93 RAB9A (0.37) PPARDSCN9ARARBFFAR4

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-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 PPARD 3762/4885SCN9A 2503/4885ALOX5AP 1673/4885

“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.