SCHEMBL18769009

SCHEMBL18769009

COCC(=O)NCC(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PSMB5 P28074 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
SPR P35270 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12888245 0.85 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL25646524 0.82 KISS1R (0.45) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL25646523 0.82 KISS1R (0.45) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL13744709 0.79 HPGD (0.41) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL15834107 0.79 HPGD (0.41) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL13744668 0.79 HPGD (0.41) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL20657156 0.79 MAPT (0.38) ALDH1A1RAB9ACYP2D6CYP2C19MAPT
SCHEMBL87923 0.78 TSHR (0.41) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL87924 0.78 HPGD (0.40) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL20016486 0.77 ALDH1A1 (0.41) LMNAHPGDALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-20 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 (1 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-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF ADH1C, ADH5, ADH1A SMN1; SMN2 4864/4885LMNA 3705/4885HPGD 1272/4885

“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.