SCHEMBL69897

SCHEMBL69897

COC(=O)c1ccc2c(c1)Sc1ccc(C(=O)OC)cc1S2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA12 O43570 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
XDH P47989 1/20 0.55
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 3/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
LMNA P02545 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL9508150 1.00 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL9511152 0.94 KDM4E (0.52) CA1CA2CA12CA7CA9
SCHEMBL31083661 0.93 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL31083639 0.93 KDM4E (0.53) CA1CA2CA12CA7CA9
SCHEMBL13450911 0.83 TP53 (0.42) CA1CA2CA12CA7CA9
SCHEMBL2762906 0.82 NOTUM (0.43) CA1CA2CA12CA7CA9
SCHEMBL13450912 0.82 KDM4E (0.41) CA1CA2CA12CA7CA9
SCHEMBL21383082 0.79 ALDH1A1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL28531063 0.78 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL1003629 0.77 MAPT (0.56) ALDH1A1MAPTHPGDALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 CA1 550/4885CA2 612/4885CA12 1221/4885

“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.