SCHEMBL1574932

SCHEMBL1574932

CCCCOc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.44
CYP3A4 P08684 3/20 0.44
CYP19A1 P11511 5/20 0.42
CYP2C9 P11712 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP1A2 P05177 4/20 0.42
LTA4H P09960 2/20 0.41
NR5A1 Q13285 1/20 0.41
RARB P10826 5/20 0.41
RARA P10276 1/20 0.40
PTPN11 Q06124 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL4867819 0.96 NR5A1 (0.49) CYP2D6CYP3A4LTA4HNR5A1RARB
SCHEMBL3958235 0.94 LTA4H (0.41) CYP2D6CYP3A4LTA4HFFAR1FFAR4
SCHEMBL16937461 0.83 ALDH1A1 (0.37) FFAR1FFAR4KDM4E
SCHEMBL9494141 0.83 NR5A1 (0.56) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL9494594 0.83 NR5A1 (0.56) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL9494586 0.83 NR5A1 (0.56) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL9494660 0.83 NR5A1 (0.56) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL9496980 0.83 NR5A1 (0.56) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL9494088 0.83 NR5A1 (0.56) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL9493546 0.83 NR5A1 (0.56) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483370-B1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2015-07-15 EP disclosed
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 US disclosed
EP-2305627-B1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-09-17 EP disclosed
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-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-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 EP disclosed
WO-2011035842-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2011-03-31 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 (2 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 CYP2D6 3356/4885CYP3A4 2310/4885CYP19A1 1358/4885
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 CYP2D6 3273/4885CYP3A4 2745/4885CYP19A1 1641/4885

“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.