SCHEMBL12433700

SCHEMBL12433700

CCCC1CCC(CCc2c(C)cc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
ESR1 P03372 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
BRD4 O60885 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
DHFR P00374 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
SCHEMBL12433787 0.87
SCHEMBL2208480 0.86 LMNA (0.32) KDM1AESR1
SCHEMBL13980225 0.86
SCHEMBL14035164 0.85
SCHEMBL12433697 0.84 NAAA (0.35) KDM1AESR1BRD4FFAR4
SCHEMBL2207937 0.83 LMNA (0.30)
SCHEMBL12433803 0.83 LMNA (0.30)
SCHEMBL12433813 0.82 LMNA (0.30)
SCHEMBL12433778 0.81 NAAA (0.34) KDM1ABRD4FFAR4
SCHEMBL1311479 0.80 RIPK1 (0.38) KDM1AGRIN1GRIN2BBRD4

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-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
EP-1655360-B1 Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition CHISSO CORP (JP) 2008-11-12 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 436/4885ESR1 1576/4885GRIN1 1621/4885

“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.