SCHEMBL9946087

SCHEMBL9946087

Cc1cc(C)cc(COc2ccc(C(C)C)cc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.52
FFAR1 O14842 3/20 0.52
MRGPRX4 Q96LA9 2/20 0.45
TACR1 P25103 3/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
LMNA P02545 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL9946034 0.86 FFAR4 (0.55) FFAR4FFAR1MRGPRX4
SCHEMBL12868786 0.84 FFAR4 (0.54) FFAR4FFAR1MRGPRX4HTTSMN1; SMN2
SCHEMBL26581173 0.81 IDO1 (0.45) FFAR4FFAR1MRGPRX4LMNA
SCHEMBL9946103 0.79 FFAR4 (0.40) FFAR4FFAR1MRGPRX4BCHEACHE
SCHEMBL9946090 0.78 PARP10 (0.55) FFAR1MRGPRX4ACHEPARP10
SCHEMBL11449830 0.78 KMT2A (0.48) BCHEACHELMNAHTTSMN1; SMN2
SCHEMBL19121473 0.76 ALDH1A1 (0.47) BCHEACHELMNAHTTSMN1; SMN2
SCHEMBL17129455 0.75 CCR5 (0.49) LMNA
SCHEMBL12062743 0.75 LMNA (0.41) BCHEACHELMNAHTTSMN1; SMN2
SCHEMBL9945950 0.75 HTT (0.47) BCHEACHELMNAHTTSMN1; SMN2

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 1371/4885FFAR1 1083/4885MRGPRX4 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.