SCHEMBL12737299

SCHEMBL12737299

CCCCCOc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
PTPN11 Q06124 3/20 0.33
PPARD Q03181 2/20 0.33
SCN9A Q15858 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
FPR2 P25090 1/20 0.32
PTPN1 P18031 1/20 0.32
RARB P10826 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL12742278 1.00 ALOX5AP (0.34) ALOX5APFEN1PTPN11PPARDSCN9A
SCHEMBL12742285 0.99 PTPN11 (0.34) ALOX5APFEN1PTPN11PPARDSCN9A
SCHEMBL12737296 0.99 PTPN11 (0.34) ALOX5APFEN1PTPN11PPARDSCN9A
SCHEMBL12737294 0.99 PTPN11 (0.34) ALOX5APFEN1PTPN11PPARDSCN9A
SCHEMBL12742292 0.99 PTPN11 (0.34) ALOX5APFEN1PTPN11PPARDSCN9A
SCHEMBL12737300 0.99 PTPN11 (0.34) ALOX5APFEN1PTPN11PPARDSCN9A
SCHEMBL12742289 0.99 PTPN11 (0.34) ALOX5APFEN1PTPN11PPARDSCN9A
SCHEMBL12737293 0.97 PPARD (0.35) ALOX5APFEN1PPARDSCN9AHPGD
SCHEMBL12742269 0.97 PPARD (0.35) ALOX5APFEN1PPARDSCN9AHPGD
SCHEMBL12742266 0.91 HPGD (0.39) ALOX5APFEN1PPARDHPGDLMNA

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 ALOX5AP 1673/4885FEN1 3340/4885PTPN11 3889/4885

“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.