SCHEMBL1537555

SCHEMBL1537555

COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
ERN1 O75460 9/20 0.53
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 2/20 0.44
CA7 P43166 1/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1537559 0.94 ALDH1A1 (0.60) ALDH1A1ERN1KDM4EEGFRTSHR
SCHEMBL15160947 0.90 ALDH1A1 (0.79) ALDH1A1ERN1CA12CA1CA2
SCHEMBL2389679 0.87 ALDH1A1 (0.89) ALDH1A1ERN1CA12CA1CA2
SCHEMBL4887726 0.85 ERN1 (0.68) ALDH1A1ERN1CA12CA1CA2
SCHEMBL16749655 0.83 CA1 (0.58) ALDH1A1ERN1CA12CA1CA2
SCHEMBL21433629 0.83 ALDH1A1 (0.68) ALDH1A1ERN1CA12CA1CA2
SCHEMBL10068712 0.82 ALDH1A1 (0.53) ALDH1A1ERN1CA12CA1CA2
SCHEMBL3000000 0.81 ALDH1A1 (0.64) ALDH1A1ERN1CA12CA1CA2
SCHEMBL79533 0.81 ALDH1A1 (1.00) ALDH1A1ERN1CA12CA1CA2
SCHEMBL28033399 0.81 ALDH1A1 (1.00) ALDH1A1ERN1CA12CA1CA2

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-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 US disclosed
US-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES YALE UNIVERSITY (US) 2011-03-17 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-20110064694-A1 ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES HAVCR2, HCCS, HMBS ALDH1A1 3535/4885ERN1 3075/4885CA12 2333/4885

“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.