SCHEMBL13198599

SCHEMBL13198599

CCOc1ccc(OC(C)CC(C)Oc2ccc(OCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LTA4H P09960 2/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PARP10 Q53GL7 1/20 0.42
RELA Q04206 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL9869517 1.00 NQO1 (0.61) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL9768614 0.85 NQO1 (0.58) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL11805509 0.79 SIGMAR1 (0.55) NQO1LTA4HRELASMN1; SMN2HPGD
SCHEMBL9348566 0.79 NQO1 (0.50) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL15892044 0.79 NQO1 (0.50) NQO1TSHRTDP1LTA4HPARP10
SCHEMBL9343776 0.79 NQO1 (0.50) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL9344357 0.79 NQO1 (0.50) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL9768704 0.79 LTA4H (0.58) NQO1LTA4HRELAHPGDMAPT
SCHEMBL9869550 0.78 PPARG (0.45) TSHRTDP1LTA4HALDH1A1SMN1; SMN2
SCHEMBL8888132 0.78 NQO1 (0.61) NQO1TSHRTDP1LTA4HKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7785675-B2 Compound and liquid crystal composition ADEKA CORPORATION (JP) 2010-08-31 US disclosed
US-7785675-B2 Compound and liquid crystal composition ADEKA CORPORATION (JP) 2010-08-31 US disclosed
US-7618554-B2 for in-plane switching (IPS) liquid crystal displays and low voltage-driven twist nematic (TN) liquid crystal displays and has a high dielectric anisotropy and a low rotational viscosity; perfluoroallyl difluorophenyl ethers ADEKA CORPORATION (JP) 2009-11-17 US disclosed
US-7618554-B2 for in-plane switching (IPS) liquid crystal displays and low voltage-driven twist nematic (TN) liquid crystal displays and has a high dielectric anisotropy and a low rotational viscosity; perfluoroallyl difluorophenyl ethers ADEKA CORPORATION (JP) 2009-11-17 US disclosed
US-20090103041-A1 Novel compound and liquid crystal composition ADEKA CORPORATION (JP) 2009-04-23 US disclosed
US-20090103041-A1 Novel compound and liquid crystal composition ADEKA CORPORATION (JP) 2009-04-23 US disclosed
US-20080149890-A1 Liquid Crystal Composition ADEKA CORPORATION (JP) 2008-06-26 US disclosed
US-20080149890-A1 Liquid Crystal Composition ADEKA CORPORATION (JP) 2008-06-26 US disclosed
EP-1840185-A1 LIQUID CRYSTAL COMPOSITION Adeka Corporation (JP) 2007-10-03 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-20090103041-A1 Novel compound and liquid crystal composition PYM1, H1-0, H1-2 NQO1 721/4885TSHR 1561/4885TDP1 3217/4885

“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.