SCHEMBL20104860

SCHEMBL20104860

CC(C)C(C)NC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 4/20 0.35
PTGS1 P23219 2/20 0.35

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
SCHEMBL20100735 0.86 SMN1; SMN2 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL20113587 0.83 ALDH1A1 (0.37) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL20104861 0.83 PTGS2 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2PTGS2
SCHEMBL20109406 0.82 SMN1; SMN2 (0.36) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL20104867 0.82 HPGD (0.39) ALDH1A1SMN1; SMN2PTGS2PTGS1
SCHEMBL20113580 0.81 FAAH (0.39) PTGS2PTGS1
SCHEMBL13396860 0.81 ALDH1A1 (0.38) ALDH1A1PTGS2PTGS1
SCHEMBL20104906 0.81 HPGD (0.42) ALDH1A1LMNAMAPTSMN1; SMN2PTGS2
SCHEMBL16124693 0.80 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL13863668 0.79 TSHR (0.41) ALDH1A1LMNAMAPTPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID NICOX S.A. (FR) 2018-05-03 US disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 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 (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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR ALDH1A1 584/4885LMNA 3760/4885MAPT 4113/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR ALDH1A1 584/4885LMNA 3760/4885MAPT 4113/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 ALDH1A1 665/4885LMNA 2439/4885MAPT 2898/4885

“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.