SCHEMBL12739840

SCHEMBL12739840

CCCc1ccc(-c2ccc(C3CCC(CCc4ccc(C)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
OPRL1 P41146 8/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MPL P40238 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
DGAT1 O75907 1/20 0.31
RARB P10826 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL12739981 0.93 OPRL1 (0.34) SLC6A3SLC6A2SLC6A4OPRL1FFAR4
SCHEMBL12739833 0.89 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4OPRL1FFAR4
SCHEMBL12739841 0.89 FFAR4 (0.35) MAOAMAOBOPRL1FFAR4MPL
SCHEMBL12823701 0.87 BRD4 (0.35) MAOAMAOBOPRL1MPL
SCHEMBL12739842 0.87 FFAR4 (0.35) MAOAMAOBFFAR4MPLRARB
SCHEMBL12739700 0.87 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4OPRL1
SCHEMBL12739852 0.86 FFAR4 (0.39) MAOAMAOBFFAR4
SCHEMBL12739844 0.86 RARB (0.36) MAOAMAOBFFAR4MPLRARB
SCHEMBL12716416 0.86 FFAR4 (0.35) SLC6A3FFAR4MPLRARBALOX5AP
SCHEMBL12739793 0.85 FFAR4 (0.35) MAOAMAOBOPRL1FFAR4

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 5 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-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
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 SLC6A3 2440/4885SLC6A2 3580/4885SLC6A4 3218/4885

“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.