SCHEMBL3839313

SCHEMBL3839313

O=C(O)CC(NC(=O)OCc1ccc2c(c1)-c1ccccc1C2)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
RAB9A P51151 1/20 0.39
MME P08473 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.38
ITGA2 P17301 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL3839310 0.86 CYP26A1 (0.43) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL7703021 0.86 CYP26A1 (0.43) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL3863275 0.85 HTT (0.54) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL3863271 0.85 HTT (0.54) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL6648096 0.77 L3MBTL1 (0.51) CYP26A1HTTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL29522687 0.76 CASP3 (0.48) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL7706322 0.76 CASP3 (0.48) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL6881599 0.76 CASP3 (0.48) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL3810153 0.76 CASP3 (0.48) CYP26A1HTTSMN1; SMN2L3MBTL1ITGB3
SCHEMBL13619485 0.75 ALDH1A1 (0.59) CYP26A1HTTSMN1; SMN2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
EP-1347783-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
WO-2002051444-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO disclosed
EP-1219305-A1 Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units Bayer Aktiengesellschaft (DE) 2002-07-03 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 WO 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-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units ITGAV, ITGB3, ITGAL CYP26A1 4100/4885HTT 4631/4885SMN1; SMN2 2343/4885
US-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 CYP26A1 3605/4885HTT 4755/4885SMN1; SMN2 3721/4885

“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.