SCHEMBL12737296

SCHEMBL12737296

CCCCCCOc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
PPARD Q03181 1/20 0.33
SCN9A Q15858 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PLA2G2D Q9UNK4 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
SCHEMBL12737294 1.00 PTPN11 (0.34) PTPN11ALOX5APFEN1CNR1CNR2
SCHEMBL12737300 1.00 PTPN11 (0.34) PTPN11ALOX5APFEN1CNR1CNR2
SCHEMBL12742289 1.00 PTPN11 (0.34) PTPN11ALOX5APFEN1CNR1CNR2
SCHEMBL12742292 1.00 PTPN11 (0.34) PTPN11ALOX5APFEN1CNR1CNR2
SCHEMBL12742285 1.00 PTPN11 (0.34) PTPN11ALOX5APFEN1CNR1CNR2
SCHEMBL12737299 0.99 ALOX5AP (0.34) PTPN11ALOX5APFEN1CNR1CNR2
SCHEMBL12742278 0.99 ALOX5AP (0.34) PTPN11ALOX5APFEN1CNR1CNR2
SCHEMBL12742269 0.96 PPARD (0.35) ALOX5APFEN1PPARDSCN9AHPGD
SCHEMBL12737293 0.96 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 PTPN11 3889/4885ALOX5AP 1673/4885FEN1 3340/4885

“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.