SCHEMBL9946084

SCHEMBL9946084

Cc1ccc(COc2c(C)cc(C(C)C)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
IDO1 P14902 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
AGXT P21549 2/20 0.41
GCGR P47871 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MAOA P21397 1/20 0.39
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
PARP10 Q53GL7 1/20 0.37
HTT P42858 1/20 0.37
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL14199939 0.86 GLRA1 (0.49) MAOBRAB9AMAOAHTTSMN1; SMN2
SCHEMBL13925540 0.83 THRA (0.50) MAOBTHRATHRBAGXTNPC1
SCHEMBL22858574 0.83 GCGR (0.42) IDO1GCGRNPC1RAB9ARXRA
SCHEMBL9946086 0.82 MAOB (0.49) MAOBIDO1THRATHRBMAOA
SCHEMBL17129540 0.80 IDO1 (0.47) MAOBIDO1GCGRRXRARXRB
SCHEMBL21775826 0.75 SMN1; SMN2 (0.38) MAOBTHRATHRBAGXTGCGR
SCHEMBL9946062 0.75 RXRA (0.64) MAOBIDO1NPC1RAB9ARXRA
SCHEMBL9946032 0.75 RXRA (0.64) MAOBIDO1NPC1RAB9ARXRA
SCHEMBL9946085 0.75 THRA (0.44) MAOBTHRATHRBMAOA
SCHEMBL9945999 0.74 POLB (0.40) RXRAMAOAHTT

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 780/4885IDO1 2748/4885THRA 1584/4885

“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.