SCHEMBL7056604

SCHEMBL7056604

COC(=O)c1cc(C(=O)OC)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
RPA1 P27694 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51
DHODH Q02127 2/20 0.48
MALT1 Q9UDY8 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PDE4D Q08499 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL6493037 0.92 RPA1 (0.55) ALDH1A1RPA1L3MBTL1GAAMAPT
SCHEMBL6173677 0.92 RPA1 (0.62) ALDH1A1RPA1L3MBTL1GAAMAPT
SCHEMBL6172014 0.90 TP53 (0.59) ALDH1A1L3MBTL1GAAMAPTRECQL
SCHEMBL69400 0.85 SMN1; SMN2 (0.60) ALDH1A1L3MBTL1GAAMAPTRECQL
SCHEMBL27416531 0.84 ALDH1A1 (0.56) ALDH1A1RPA1L3MBTL1GAAMAPT
SCHEMBL6174660 0.82 CA1 (0.53) ALDH1A1RPA1L3MBTL1GAAMAPT
SCHEMBL6173412 0.82 ALDH1A1 (0.51) ALDH1A1RPA1L3MBTL1GAAMAPT
SCHEMBL6172273 0.81 ALDH1A1 (0.50) ALDH1A1RPA1L3MBTL1GAAMAPT
SCHEMBL6173564 0.81 ALDH1A1 (0.50) ALDH1A1RPA1L3MBTL1GAAMAPT
SCHEMBL6173361 0.81 RPA1 (0.67) ALDH1A1RPA1L3MBTL1GAADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 ALDH1A1 1329/4885RPA1 506/4885L3MBTL1 2167/4885

“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.