SCHEMBL9946034

SCHEMBL9946034

Cc1cccc(COc2ccc(C(C)C)cc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.55
MRGPRX4 Q96LA9 8/20 0.52
MAOB P27338 5/20 0.47
IDO1 P14902 2/20 0.46
FFAR1 O14842 2/20 0.43
MAOA P21397 1/20 0.43
HTR6 P50406 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL12868786 0.86 FFAR4 (0.54) FFAR4MRGPRX4FFAR1
SCHEMBL9946087 0.86 FFAR4 (0.52) FFAR4MRGPRX4FFAR1
SCHEMBL6957559 0.86 MRGPRX4 (0.54) FFAR4MRGPRX4MAOBIDO1
SCHEMBL9946086 0.82 MAOB (0.49) FFAR4MRGPRX4MAOBIDO1FFAR1
SCHEMBL26581173 0.81 IDO1 (0.45) FFAR4MRGPRX4MAOBIDO1FFAR1
SCHEMBL3763759 0.79 MRGPRX4 (0.70) FFAR4MRGPRX4MAOBIDO1FFAR1
SCHEMBL15219285 0.79 MAOB (0.49) FFAR4MRGPRX4MAOBIDO1MAOA
SCHEMBL8283224 0.78 FFAR4 (0.56) FFAR4MRGPRX4MAOBIDO1MAOA
SCHEMBL15701557 0.78 MRGPRX4 (0.67) FFAR4MRGPRX4MAOBIDO1MAOA
SCHEMBL9946057 0.76 MAOB (0.60) MRGPRX4MAOBIDO1FFAR1MAOA

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 FFAR4 1371/4885MRGPRX4 243/4885MAOB 780/4885

“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.