SCHEMBL2608366

SCHEMBL2608366

COC(=O)c1cc(/C=N/N=C/c2ccc(O)c(C(=O)OC)c2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.65
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
PTGS1 P23219 1/20 0.54
ALPL P05186 1/20 0.52
POLB P06746 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
BLM P54132 1/20 0.52
GFER P55789 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL1557262 0.94 PTGS2 (0.62) PTGS2CA12CA1CA2CA7
SCHEMBL12557393 0.94 PTGS2 (0.58) PTGS2CA12CA1CA2CA7
SCHEMBL1557261 0.94 PTGS2 (0.62) PTGS2CA12CA1CA2CA7
SCHEMBL2608346 0.94 PTGS2 (0.62) PTGS2CA12CA1CA2CA7
SCHEMBL16229610 0.93 PTGS2 (0.57) PTGS2CA12CA1CA2CA7
SCHEMBL16229624 0.93 PTGS2 (0.57) PTGS2CA12CA1CA2CA7
SCHEMBL12590030 0.91 GAA (0.56) PTGS2CA12CA1CA2CA7
SCHEMBL12590243 0.91 PTGS2 (0.56) PTGS2CA12CA1CA2CA7
SCHEMBL12590050 0.90 PTGS2 (0.55) PTGS2CA12CA1CA2CA7
SCHEMBL12590026 0.90 PTGS2 (0.55) PTGS2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305638-B1 ASYMMETRIC AZINE COMPOUND AND METHOD FOR PRODUCING THE SAME ZEON CORP (JP) 2014-11-12 EP 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-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 PTGS2 2370/4885CA12 66/4885CA1 75/4885
US-20110144379-A1 ASYMMETRIC AZINE COMPOUND AND METHOD FOR PRODUCING THE SAME ADH5, ADH1C, ADH1A PTGS2 3569/4885CA12 635/4885CA1 346/4885

“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.