SCHEMBL12433647

SCHEMBL12433647

CCCCCc1ccc(CCc2c(C)cc(OCC)c(F)c2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SHBG P04278 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
ADRB3 P13945 1/20 0.36
HTR2C P28335 1/20 0.36
HSPE1 P61604 1/20 0.36
HIF1A Q16665 1/20 0.36
TST Q16762 1/20 0.36

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
SCHEMBL12433633 0.91 ESR1 (0.36) ESR1KDM4EHSD17B10PTGS1PTGS2
SCHEMBL12433634 0.89 FAAH (0.42) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL13980134 0.89 RXRA (0.35) ESR1PTGS1PTGS2S1PR1S1PR3
SCHEMBL12433840 0.88 RXRA (0.40) ESR1PTGS1PTGS2S1PR1S1PR3
SCHEMBL12433590 0.87 ESR1 (0.38) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL12433757 0.85 MAPT (0.36) ALDH1A1LMNACYP3A4RARBRARA
SCHEMBL12433704 0.84 RARB (0.42) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL12433748 0.84 SPHK1 (0.38) ALDH1A1LMNA
SCHEMBL12433638 0.82 MAPT (0.36) FAAHALDH1A1LMNACYP3A4S1PR1
SCHEMBL14035180 0.80 HMGCR (0.35) PTGS1PTGS2

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 FAAH 740/4885ESR1 1576/4885ADRA2A 2698/4885

“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.