SCHEMBL9946103

SCHEMBL9946103

CB(C)c1ccc(COc2ccc(C(C)C)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.40
IDO1 P14902 2/20 0.39
FFAR1 O14842 2/20 0.39
PDK2 Q15119 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
CYP19A1 P11511 1/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
RXRG P48443 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL26581173 0.82 IDO1 (0.45) FFAR4IDO1FFAR1PDK2RXRA
SCHEMBL12868786 0.82 FFAR4 (0.54) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL9946087 0.79 FFAR4 (0.52) FFAR4FFAR1BCHEACHEHTT
SCHEMBL17129455 0.77 CCR5 (0.49) IDO1LMNA
SCHEMBL9946034 0.75 FFAR4 (0.55) FFAR4IDO1FFAR1MRGPRX4
SCHEMBL11449830 0.73 KMT2A (0.48) BCHEACHEHTTSMN1; SMN2LMNA
SCHEMBL9946053 0.73 ALDH1A1 (0.46) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL19121473 0.72 ALDH1A1 (0.47) BCHEACHEHTTSMN1; SMN2LMNA
SCHEMBL12062743 0.70 LMNA (0.41) BCHEACHEHTTSMN1; SMN2LMNA
SCHEMBL9945950 0.70 HTT (0.47) BCHEACHEHTTSMN1; SMN2LMNA

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 1371/4885IDO1 2748/4885FFAR1 1083/4885

“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.