SCHEMBL12823909

SCHEMBL12823909

C=CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.37
LSS P48449 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA4 P22748 4/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MCL1 Q07820 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
SCHEMBL12823523 0.94 APP (0.38) CASRLSSMEN1KMT2AAPP
SCHEMBL12823962 0.90 APP (0.36) CASRMEN1KMT2AAPPCYP2C19
SCHEMBL12823907 0.89 RARA (0.35) CASRLSSMEN1KMT2ARARA
SCHEMBL12742004 0.88 MAPT (0.41) LSSMEN1KMT2ACYP2C19RARA
SCHEMBL14767306 0.87 FFAR4 (0.46) LSSMEN1KMT2ARARARARB
SCHEMBL14767281 0.87 RARA (0.46) LSSMEN1KMT2ACYP2C19RARA
SCHEMBL12823195 0.87 KDM4E (0.33) CASRAPPCYP2C19
SCHEMBL12823959 0.87 KDM4E (0.33) CASRAPPCYP2C19
SCHEMBL12822968 0.87 RARA (0.33) CASRAPPCYP2C19RARARARB
SCHEMBL12823719 0.85 CASR (0.36) CASRLSSMEN1KMT2AAPP

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 CASR 2823/4885LSS 104/4885MEN1 2496/4885

“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.