SCHEMBL9946072

SCHEMBL9946072

CB(C)c1cccc(COc2ccc(O)c(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
MAOB P27338 9/20 0.45
MRGPRX4 Q96LA9 5/20 0.45
MAOA P21397 4/20 0.45
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.41
FFAR1 O14842 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL16687438 0.89 ENPP2 (0.59) ENPP2MAOBMRGPRX4MAOAMAPT
SCHEMBL9946073 0.84 MAOB (0.45) MAOBMAOARAB9ASMN1; SMN2ESR1
SCHEMBL1437457 0.81 MAOB (0.60) MAOBMAOAPKMRAB9AL3MBTL1
SCHEMBL9908790 0.80 MAOB (0.65) MAOBMRGPRX4MAOAACHE
SCHEMBL2558160 0.77 ENPP2 (0.61) ENPP2MAOBMRGPRX4TP53PKM
SCHEMBL27482028 0.77 MAOB (0.57) MAOBMRGPRX4MAOAFFAR1
SCHEMBL22887457 0.77 MRGPRX4 (0.74) MRGPRX4POLBTP53PKMNFKB1
SCHEMBL9946080 0.77 MAOB (0.65) MAOBMAOAACHE
SCHEMBL16687439 0.75 MAOB (0.45) ENPP2MAOBMAOARAB9ASMN1; SMN2
SCHEMBL22887459 0.75 MRGPRX4 (0.65) MRGPRX4TP53PKMNFKB1RAB9A

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ENPP2 147/4885MAOB 780/4885MRGPRX4 243/4885

“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.