SCHEMBL12433678

SCHEMBL12433678

CCCC1CCC(C2CCC(CCc3cc(F)c(OCC)cc3C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
SCN9A Q15858 1/20 0.32
TLR4 O00206 2/20 0.32
NAAA Q02083 1/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
P2RX7 Q99572 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
SLC6A3 Q01959 3/20 0.30
GAA P10253 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
SCHEMBL12433790 0.99 KDM1A (0.35) KDM1ASCN9ATLR4NAAAMAOB
SCHEMBL12433573 0.96 KDM1A (0.38) KDM1ASCN9ANAAAMAOBLMNA
SCHEMBL12433682 0.89 KDM1A (0.34) KDM1ASCN9ANAAAMAOB
SCHEMBL12433602 0.88 KDM1A (0.36) KDM1ASCN9ANAAAMAOBLMNA
SCHEMBL12433778 0.84 NAAA (0.34) KDM1ANAAAFFAR4SLC6A2SLC6A4
SCHEMBL2207937 0.81 LMNA (0.30) TLR4LMNATSHRMAPTHTT
SCHEMBL12433803 0.81 LMNA (0.30) TLR4LMNATSHRMAPTHTT
SCHEMBL12433697 0.80 NAAA (0.35) KDM1ANAAAFFAR4SLC6A2SLC6A4
SCHEMBL12433813 0.80 LMNA (0.30) TLR4LMNATSHRMAPTHTT
SCHEMBL12433569 0.80 MAOB (0.38) TLR4MAOBLMNAMAPTALDH1A1

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 KDM1A 436/4885SCN9A 1253/4885TLR4 1994/4885

“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.