SCHEMBL12733573

SCHEMBL12733573

Cc1ccc(-c2ccc(C3CCC4(CC3)OCCO4)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.36
ALOX5AP P20292 5/20 0.34
FEN1 P39748 5/20 0.34
TRPV3 Q8NET8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11953553 0.84 PDE10A (0.36) PDE10AALOX5APFEN1TRPV3
SCHEMBL14765748 0.81 GPR119 (0.39) PDE10AALDH1A1LMNAMAPK1
SCHEMBL10091334 0.80 PDE10A (0.36) PDE10ATRPV3ALDH1A1KDM4ELMNA
SCHEMBL12821173 0.80 TRPV3 (0.35) TRPV3
SCHEMBL11953546 0.79 CYP3A4 (0.37) TRPV3
SCHEMBL11943456 0.78 PDE10A (0.33) PDE10AALOX5APFEN1TRPV3
SCHEMBL12856682 0.77 ALOX5AP (0.39) ALOX5APFEN1
SCHEMBL20011091 0.77 TRPV3 (0.39) PDE10ATRPV3ALDH1A1SMN1; SMN2
SCHEMBL20614300 0.76 ALOX5AP (0.38) ALOX5APFEN1ALDH1A1KDM4E
SCHEMBL11965808 0.76 TRPV3 (0.39) PDE10AALOX5APFEN1TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 PDE10A 3804/4885ALOX5AP 1673/4885FEN1 3340/4885

“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.