SCHEMBL10043316

SCHEMBL10043316

CCCC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(CC)c(F)c5)CC4)CC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 2/20 0.37
PANK3 Q9H999 2/20 0.36
RORC P51449 3/20 0.35
CTSK P43235 2/20 0.34
CTSC P53634 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
TLR4 O00206 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLQ O75417 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 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
SCHEMBL10043108 1.00 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10408470 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10408468 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10408465 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10043123 0.92 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10043272 0.92 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10043109 0.91 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10043317 0.91 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10043318 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13636733 0.90 CYP2C9 (0.39) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-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

“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.