SCHEMBL4560387

SCHEMBL4560387

CCC(C)(C=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
PTPN5 P54829 5/20 0.42
PTPN1 P18031 4/20 0.42
KIF11 P52732 1/20 0.41
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
DHODH Q02127 1/20 0.35
NR3C2 P08235 1/20 0.34
BCL2 P10415 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL4558928 0.86 KIF11 (0.42) PTPN5KIF11LMNASMN1; SMN2
SCHEMBL1774301 0.84 CYP2C19 (0.41) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL20323254 0.80 POLB (0.50) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL9714500 0.78 ESR1 (0.42) KIF11LMNA
SCHEMBL28275530 0.78 SMN1; SMN2 (0.42) KIF11NPC1LMNAMAPK1CASP3
SCHEMBL777995 0.77 NPC1 (0.47) RXRARXRBPTPN5PTPN1KIF11
SCHEMBL28276715 0.75 KIF11 (0.41) KIF11NPC1LMNAMAPK1RAB9A
SCHEMBL3361991 0.73 PTPN1 (0.50) RXRARXRBPTPN5PTPN1KIF11
SCHEMBL27544292 0.72 KIF11 (0.50) RXRARXRBPTPN5PTPN1KIF11
SCHEMBL3681495 0.72 KIF11 (0.53) RXRARXRBPTPN5PTPN1KIF11

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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH RXRA 1675/4885RXRB 1116/4885PTPN5 2224/4885

“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.