SCHEMBL9946055

SCHEMBL9946055

Cc1ccc(C(F)(F)F)cc1OCc1cccc(C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.59
FFAR4 Q5NUL3 1/20 0.46
MAOB P27338 3/20 0.45
IDO1 P14902 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL30573038 0.82 HTR2C (0.56) MRGPRX4FFAR4HTR2CSLC6A4HTR2B
SCHEMBL12167392 0.82 HTR2C (0.56) MRGPRX4FFAR4HTR2CSLC6A4HTR2B
SCHEMBL24726468 0.77 MAOB (0.48) MRGPRX4FFAR4MAOBIDO1
SCHEMBL23135657 0.76 MRGPRX4 (0.68) MRGPRX4
SCHEMBL19237512 0.76 MRGPRX4 (0.52) MRGPRX4FFAR4MAOBIDO1HTR2C
SCHEMBL12330828 0.75 FFAR4 (0.60) MRGPRX4FFAR4MAOBIDO1SLC6A4
SCHEMBL19237551 0.75 MRGPRX4 (0.51) MRGPRX4FFAR4MAOBIDO1HTR2C
SCHEMBL14200042 0.75 KEAP1 (0.53)
SCHEMBL22470002 0.74 MRGPRX4 (1.00) MRGPRX4
SCHEMBL31568422 0.74 MRGPRX4 (1.00) MRGPRX4

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 MRGPRX4 243/4885FFAR4 1371/4885MAOB 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.