SCHEMBL12737232

SCHEMBL12737232

CCC1CCC(c2ccc(OC(=O)C3CCC(c4ccc(OC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MTNR1B P49286 1/20 0.35
CPS1 P31327 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL12742164 0.94 FFAR1 (0.40) FFAR1MEN1KMT2AMAPTNPC1
SCHEMBL12737246 0.92 FFAR1 (0.40) FFAR1MEN1KMT2AMAPTNPC1
SCHEMBL12717562 0.92 HPGD (0.39) FFAR1MTNR1BCPS1HPGD
SCHEMBL12737234 0.90 FFAR1 (0.38) FFAR1MEN1KMT2ANPC1RAB9A
SCHEMBL12821237 0.89 PTGDR2 (0.37) FFAR1NPC1RAB9APTGDR2POLB
SCHEMBL12742034 0.88 POLB (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12737154 0.88 POLB (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL12719841 0.88 CA2 (0.36) FFAR1MEN1KMT2AMAPTNPC1
SCHEMBL12719651 0.87 HPGD (0.39) FFAR1MTNR1BHPGD
SCHEMBL12742183 0.86 FFAR1 (0.41) FFAR1MAPTNPC1RAB9APTGDR2

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 FFAR1 247/4885MEN1 2496/4885KMT2A 1271/4885

“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.