SCHEMBL4527455

SCHEMBL4527455

O=C(O)c1[c]cc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.49
CASP6 P55212 1/20 0.46
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.40
POLB P06746 1/20 0.39
HCAR3 P49019 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDK2 P24941 2/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL11697530 0.78 DTYMK (0.60) DTYMKCASP6TSHRLMNAHCAR3
SCHEMBL30775472 0.76 DTYMK (0.58) DTYMKCASP6TSHRLMNAHCAR3
SCHEMBL11317819 0.74 DTYMK (0.56) DTYMKCASP6TSHRLMNAHCAR3
SCHEMBL11241523 0.74 DTYMK (0.56) DTYMKCASP6TSHRLMNAHCAR3
SCHEMBL1314264 0.73 ALDH1A1 (0.36) TSHRLMNAPOLBCA1CA2
SCHEMBL772640 0.73 CASP6 (0.57) DTYMKCASP6TSHRLMNAHCAR3
SCHEMBL405684 0.73 DTYMK (0.51) DTYMKCASP6TSHRLMNACA1
SCHEMBL263830 0.72 CASP6 (0.72) DTYMKCASP6TSHRLMNAAPEX1
SCHEMBL13948939 0.72 DTYMK (0.50) DTYMKCASP6TSHRLMNACA1
SCHEMBL1851121 0.72 CASP6 (0.72) DTYMKCASP6TSHRLMNAAPEX1

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-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES Sutter West Bay Hospitals, dba California Pacific Medical Center and Catholic Healthcare West 2009-12-03 US claimed
EP-1643987-A4 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2008-07-09 EP claimed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 US claimed
EP-1643987-A2 PODOPHYLLOTOXIN DERIVATIVES California Pacific Medical Center (US) 2006-04-12 EP claimed
WO-2005014536-A2 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2005-02-17 WO claimed
US-20050004169-A1 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS, DBA CALIFORNIA PACIFIC MEDICAL CENTER 2005-01-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 DTYMK 1298/4885CASP6 163/4885TSHR 3451/4885
US-20050004169-A1 Podophyllotoxin derivatives APEH, DAGLA, DPY30 DTYMK 1298/4885CASP6 163/4885TSHR 3451/4885
US-20090298870-A1 PODOPHYLLOTOXIN DERIVATIVES APEH, DAGLA, DPY30 DTYMK 1298/4885CASP6 163/4885TSHR 3451/4885

“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.