SCHEMBL10119573

SCHEMBL10119573

CCC(CCCC(=O)OC)O[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
EPHX2 P34913 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 2/20 0.31

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
SCHEMBL13863668 0.84 TSHR (0.41) TSHRL3MBTL1LMNAALDH1A1MAPT
SCHEMBL12754382 0.83 AKR1B1 (0.36) TSHRLMNAALDH1A1TDP1PPARG
SCHEMBL10104155 0.83 AKR1B1 (0.36) TSHRLMNAALDH1A1TDP1PPARG
SCHEMBL10119574 0.83 AKR1B1 (0.36) TSHRLMNAALDH1A1TDP1PPARG
SCHEMBL10104151 0.83 EPHX2 (0.30) EPHX2
SCHEMBL12754381 0.83 EPHX2 (0.30) EPHX2
SCHEMBL13588978 0.80 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL8805982 0.79 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1CA12
SCHEMBL20100735 0.78 SMN1; SMN2 (0.34) L3MBTL1LMNAALDH1A1CYP3A4MAPT
SCHEMBL20100734 0.78 HPGD (0.40) EPHX2

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-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2013-01-31 US disclosed
US-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2012-04-05 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-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 TSHR 487/4885L3MBTL1 3761/4885LMNA 685/4885
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 TSHR 487/4885L3MBTL1 3761/4885LMNA 685/4885

“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.