SCHEMBL20100737

SCHEMBL20100737

CCCOCC(=O)NCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 3/20 0.43
EPHX1 P07099 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 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
SCHEMBL25516107 0.85 LMNA (0.43) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL24379838 0.84 LMNA (0.40) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL101552 0.83 HPGD (0.45) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL25875336 0.83 LMNA (0.44) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL23806315 0.82 LMNA (0.41) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL26445199 0.81 SMN1; SMN2 (0.43) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL25524815 0.81 LMNA (0.43) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL26147450 0.81 LMNA (0.43) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL21106880 0.81 LMNA (0.43) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL26445198 0.81 SMN1; SMN2 (0.43) LMNASMN1; SMN2CYP2D6CYP2C19HPGD

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-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 (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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR LMNA 3760/4885SMN1; SMN2 4789/4885CYP2D6 119/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 LMNA 2439/4885SMN1; SMN2 4557/4885CYP2D6 59/4885

“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.