SCHEMBL2608355

SCHEMBL2608355

CCCOCCOC(=O)c1cc(/C=N/N=C/c2ccc(O)cc2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
EGFR P00533 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ESR1 P03372 4/20 0.42
TSHR P16473 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SERPINE1 P05121 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MIF P14174 3/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL2608352 0.93 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL16229590 0.92 L3MBTL1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL12590244 0.91 PTGS2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL12590052 0.90 L3MBTL1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL12557388 0.90 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL12557391 0.89 L3MBTL1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL12557372 0.88 L3MBTL1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL16199455 0.87 MEN1 (0.62) L3MBTL1ALDH1A1MEN1KMT2APTGS2
SCHEMBL12590241 0.86 L3MBTL1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL16229625 0.84 L3MBTL1 (0.47) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871977-B2 Asymmetric azine compound and method for producing the same ZEON CORPORATION (JP) 2014-10-28 US disclosed
US-8871977-B2 Asymmetric azine compound and method for producing the same ZEON CORPORATION (JP) 2014-10-28 US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20110144379-A1 ASYMMETRIC AZINE COMPOUND AND METHOD FOR PRODUCING THE SAME ZEON CORPORATION (JP) 2011-06-16 US disclosed
US-20110144379-A1 ASYMMETRIC AZINE COMPOUND AND METHOD FOR PRODUCING THE SAME ZEON CORPORATION (JP) 2011-06-16 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 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 (2 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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 CA12 66/4885CA1 75/4885CA2 413/4885
US-20110144379-A1 ASYMMETRIC AZINE COMPOUND AND METHOD FOR PRODUCING THE SAME ADH5, ADH1C, ADH1A CA12 635/4885CA1 346/4885CA2 1147/4885

“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.