SCHEMBL12433771

SCHEMBL12433771

CCCC1CCC(CCC2CCC(c3cc(C)c(CCc4ccc(OCC)c(F)c4F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
CYP2C9 P11712 1/20 0.32
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
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL12433768 0.89
SCHEMBL14035195 0.86 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12984190 0.82 KDM1A (0.33) KDM1A
SCHEMBL22277685 0.81 CYP2C9 (0.44) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL9405770 0.80 CYP2C9 (0.41) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL9405767 0.80 CYP2C9 (0.41) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL12433772 0.79
SCHEMBL16871069 0.78 CYP2C9 (0.33) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL9405829 0.78 KDM1A (0.35) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL3437363 0.78 KDM1A (0.35) KDM1ACYP2C9ALDH1A1LMNAMAPT

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 7 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-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-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
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
EP-1997867-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) 2008-12-03 EP 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 KDM1A 436/4885CYP2C9 160/4885ALDH1A1 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.