SCHEMBL9946031

SCHEMBL9946031

Cc1ccc(COc2cccc(C(C)C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.64
MAOA P21397 2/20 0.57
SPHK1 Q9NYA1 1/20 0.53
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
BCHE P06276 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
APP P05067 1/20 0.46
HPD P32754 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9946091 0.87 MAOB (0.50) MAOBMAOASPHK1KDM4ETSHR
SCHEMBL684282 0.87 MAOB (0.62) MAOBMAOAKDM4ETSHRBCHE
SCHEMBL15340870 0.86 NPC1 (0.58) MAOBSPHK1KDM4ETSHRBCHE
SCHEMBL15340853 0.86 MAOB (0.65) MAOBMAOASPHK1KDM4ETSHR
SCHEMBL9946059 0.84 MAOB (0.55) MAOBMAOAAPP
SCHEMBL9946061 0.84 MRGPRX4 (0.56) MAOB
SCHEMBL15472276 0.84 MAOB (0.60) MAOBMAOANPC1RAB9AAPP
Formaldehyde SCHEMBL27575662 0.83 KMT2A (0.58) MAOBMAOABCHEKMT2ASMN1; SMN2
SCHEMBL9946057 0.83 MAOB (0.60) MAOBMAOAKDM4ETSHRBCHE
SCHEMBL14163878 0.82 MAOA (0.59) MAOBMAOASPHK1KDM4ETSHR

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 MAOB 780/4885MAOA 809/4885SPHK1 347/4885

“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.