SCHEMBL9610736

SCHEMBL9610736

CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NPSR1 Q6W5P4 3/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.54
PABPC1 P11940 1/20 0.54
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
USP30 Q70CQ3 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
UCHL1 P09936 2/20 0.52
KDM4E B2RXH2 1/20 0.52
JAK2 O60674 1/20 0.51

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
SCHEMBL15576719 1.00 NPC1 (0.71) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL9609515 1.00 NPC1 (0.71) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL2389717 0.95 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL2525285 0.95 NPC1 (0.77) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL3807585 0.92 NPC1 (0.71) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL17765418 0.89 NPC1 (0.74) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL1752680 0.89 NPC1 (0.74) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL7075840 0.88 NPC1 (0.65) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL7075835 0.88 NPC1 (0.65) NPC1MEN1KMT2ANPSR1LMNA
SCHEMBL7726357 0.88 NPC1 (0.72) NPC1MEN1KMT2ANPSR1LMNA

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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 NPC1 1954/4885MEN1 660/4885KMT2A 3823/4885

“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.