SCHEMBL9946102

SCHEMBL9946102

CB(C)c1cccc(COc2ccc(C(C)(C)C)cc2C)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.62
KDM4E B2RXH2 4/20 0.46
FFAR4 Q5NUL3 5/20 0.42
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41
SRC P12931 1/20 0.41
RECQL P46063 1/20 0.40
FFAR1 O14842 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2558750 0.88 MRGPRX4 (0.64) MRGPRX4KDM4EFFAR4IGF1RMET
SCHEMBL15701557 0.83 MRGPRX4 (0.67) MRGPRX4KDM4EFFAR4IGF1RMET
SCHEMBL12295554 0.81 MRGPRX4 (0.68) MRGPRX4KDM4EFFAR4RECQLRXRA
SCHEMBL15701532 0.81 MRGPRX4 (0.64) MRGPRX4KDM4EFFAR4
SCHEMBL22480871 0.76 MRGPRX4 (1.00) MRGPRX4RXRARXRBRXRG
SCHEMBL9893596 0.75 MRGPRX4 (0.54) MRGPRX4KDM4EFFAR4RECQLFFAR1
SCHEMBL9946101 0.74 MRGPRX4 (0.47) MRGPRX4KDM4EFFAR4RECQLFFAR1
SCHEMBL2556265 0.72 MRGPRX4 (0.61) MRGPRX4FFAR4FFAR1
SCHEMBL12851580 0.71 RXRA (0.57) MRGPRX4RXRARXRBRXRG
SCHEMBL12024746 0.71 MRGPRX4 (0.56) MRGPRX4KDM4EFFAR4SRCFFAR1

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 243/4885KDM4E 4270/4885FFAR4 1371/4885

“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.