SCHEMBL12433706

SCHEMBL12433706

CCCCCC1CCC(c2ccc(OC(F)(F)c3c(C)cc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL12433817 0.99 CYP2C9 (0.31) CYP2C9RAB9AALDH1A1LMNAMAPT
SCHEMBL2209980 0.93 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL13980223 0.92
SCHEMBL12433724 0.91
SCHEMBL12433756 0.89 CYP2C9 (0.31) CYP2C9RAB9AALDH1A1LMNAMAPT
SCHEMBL12433745 0.86 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12433726 0.84 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12984505 0.81 LMNA (0.31) LMNAMAPT
SCHEMBL12624596 0.81 CYP2C9 (0.34) CYP2C9RAB9AALDH1A1LMNAMAPT
SCHEMBL12433839 0.81 ITGB3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2009-09-17 US 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-20090230356-A1 COMPOUND HAVING ALKYL ON BENZENE RING, LIQUID CRYSTAL COMPOSITION HAVING THE COMPOUND, AND LIQUID CRYSTAL DISPLAY DEVICE HAVING THE LIQUID CRYSTAL COMPOSITION BRD1, CNOT1, CXCR1 CYP2C9 160/4885RAB9A 3244/4885ALDH1A1 1134/4885

“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.