SCHEMBL1311965

SCHEMBL1311965

CCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)c(F)c2F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
MCHR1 Q99705 2/20 0.42
TLR8 Q9NR97 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
NR5A1 Q13285 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL16855833 0.92 CYP1A2 (0.44) L3MBTL1MCHR1TLR8NR5A1CNR1
SCHEMBL16852425 0.92 ESR1 (0.41) L3MBTL1MCHR1TLR8THRATHRB
SCHEMBL12113646 0.92 ESR1 (0.41) L3MBTL1MCHR1TLR8THRATHRB
SCHEMBL19160350 0.90 NR5A1 (0.50) L3MBTL1THRATHRBNR5A1MEN1
SCHEMBL19160763 0.90 NR5A1 (0.50) L3MBTL1THRATHRBNR5A1MEN1
SCHEMBL19160557 0.90 NR5A1 (0.50) L3MBTL1THRATHRBNR5A1MEN1
SCHEMBL16852417 0.90 L3MBTL1 (0.39) L3MBTL1MCHR1TLR8THRATHRB
SCHEMBL16855828 0.89 CYP1A2 (0.42) L3MBTL1MCHR1TLR8MEN1MAPT
SCHEMBL29444871 0.89 CYP1A2 (0.42) L3MBTL1MCHR1TLR8MEN1MAPT
SCHEMBL29444864 0.89 L3MBTL1 (0.47) L3MBTL1MCHR1TLR8MAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9052852-A None JP disclosed
EP-2399896-B1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING SAME JNC CORP (JP) 2016-04-13 EP disclosed
US-8298632-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition using this and liquid crystal display device JNC CORPORATION (JP) 2012-10-30 US disclosed
EP-2399896-A1 LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EACH COMPRISING SAME JNC Corporation (JP) 2011-12-28 EP disclosed
US-20110272630-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING THIS AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-11-10 US disclosed
JP-H0952852-A FLUORINE-SUBSTITUTED BIPHENYL DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE DERIVATIVE KANTO CHEM CO INC 1997-02-25 JP 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-20110272630-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION USING THIS AND LIQUID CRYSTAL DISPLAY DEVICE PYM1, AQP1, CXCR1 L3MBTL1 1155/4885MCHR1 1935/4885TLR8 4696/4885

“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.