SCHEMBL740131

SCHEMBL740131

CCCC1CCC(c2ccc(C3CCC(C4CCC(CC)CC4)CC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRL1 P41146 14/20 0.36
TLR4 O00206 1/20 0.35
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL12994006 0.95 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2905649 0.89 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2905643 0.89 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2905645 0.89 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14494545 0.89 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17614851 0.88 OPRL1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12140866 0.88 OPRL1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3437350 0.88 OPRL1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4406898 0.88 OPRL1 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13025980 0.88 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279990-B1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-8137583-B2 Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-03-20 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
EP-2279990-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-02 EP disclosed
WO-2010146992-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-12-23 WO disclosed
EP-2199270-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-06-23 EP disclosed
WO-2009145101-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-03 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 CYP2C9 3544/4885ALDH1A1 1115/4885LMNA 453/4885
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ROCK1, ROCK2, LEF1 CYP2C9 2320/4885ALDH1A1 665/4885LMNA 2130/4885

“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.