SCHEMBL13313912

SCHEMBL13313912

CC(C)(C)OC(=O)CCCn1c([N+](=O)[O-])cnc1CO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GLA P06280 1/20 0.40
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ CA9 Q16790 4/20 0.36
▸ CA12 O43570 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ EGFR P00533 3/20 0.34
▸ ERBB2 P04626 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GUSB P08236 1/20 0.34

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
SCHEMBL13313907 0.80 HTR2A (0.42) LMNAALDH1A1GLAMAPTEGFR
SCHEMBL11617000 0.79 LMNA (0.52) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11615313 0.76 LMNA (0.55) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL10920908 0.75 LMNA (0.67) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11613846 0.74 GLA (0.56) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL7557801 0.74 LMNA (0.45) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11620314 0.72 LMNA (0.54) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL14546086 0.72 LMNA (0.62) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL18366018 0.71 GLA (0.62) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL31487688 0.70 HDAC8 (0.32) LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980907-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 — — US disclosed
US-8980907-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-03-17 — — US disclosed
US-8889635-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 — — US disclosed
US-8889635-B2 Dendrimer conjugates THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-18 — — US disclosed
US-20140128327-A1 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-08 — — US disclosed
US-20140128327-A1 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-08 — — US disclosed
US-20100160299-A1 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-06-24 — — 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 (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-20140128327-A1 DENDRIMER CONJUGATES CD44, DDOST, ADGRE5 LMNA 3032/4885MAPK1 4058/4885ALDH1A1 2133/4885
US-20100160299-A1 DENDRIMER CONJUGATES CD44, DDOST, ADGRE5 LMNA 3032/4885MAPK1 4058/4885ALDH1A1 2133/4885

“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.

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