SCHEMBL12823959

SCHEMBL12823959

C=CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
CASR P41180 1/20 0.33
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
APP P05067 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12823195 1.00 KDM4E (0.33) KDM4ECASRHPGDXBP1APP
SCHEMBL12822968 0.92 RARA (0.33) CASRAPPCYP2C19
SCHEMBL12823553 0.90 GAA (0.34) KDM4ECASRHPGDXBP1APP
SCHEMBL12823954 0.90 GAA (0.34) KDM4ECASRHPGDXBP1APP
SCHEMBL12823898 0.89 ADRB1 (0.34) KDM4ECASR
SCHEMBL12821512 0.89 ADRB1 (0.34) KDM4ECASR
SCHEMBL12823523 0.89 APP (0.38) CASRAPPCYP2C19
SCHEMBL12738144 0.88 KDM4E (0.36) KDM4EHPGDCYP2C19ALDH1A1L3MBTL1
SCHEMBL14766094 0.88 FFAR1 (0.38) KDM4EHPGDALDH1A1L3MBTL1
SCHEMBL14767006 0.88 FFAR1 (0.38) KDM4EHPGDALDH1A1L3MBTL1

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-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 KDM4E 2690/4885CASR 2823/4885HPGD 4781/4885

“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.