SCHEMBL9946101

SCHEMBL9946101

CB(C)c1ccccc1COc1ccc(C(C)(C)C)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.47
KDM4E B2RXH2 4/20 0.47
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
FFAR4 Q5NUL3 8/20 0.38
FFAR1 O14842 4/20 0.38
CD274 Q9NZQ7 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
VDR P11473 1/20 0.35

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
SCHEMBL2560319 0.89 MRGPRX4 (0.50) MRGPRX4KDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL17236439 0.77 LIPE (0.40) MRGPRX4KDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL12295554 0.76 MRGPRX4 (0.68) MRGPRX4KDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL9946102 0.74 MRGPRX4 (0.62) MRGPRX4KDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL9442078 0.74 MRGPRX4 (0.52) MRGPRX4KDM4EALDH1A1FFAR4FFAR1
SCHEMBL2554682 0.72 L3MBTL1 (0.47) MRGPRX4SMN1; SMN2FFAR4FFAR1LMNA
SCHEMBL15701533 0.71 MRGPRX4 (0.52) MRGPRX4KDM4ERECQLSMN1; SMN2ALDH1A1
SCHEMBL2556867 0.70 ENPP2 (0.51) MRGPRX4SMN1; SMN2FFAR4FFAR1LMNA
SCHEMBL9442059 0.70 MRGPRX4 (0.48) MRGPRX4KDM4ESMN1; SMN2FFAR4FFAR1
SCHEMBL814457 0.70 KDM4E (0.72) MRGPRX4KDM4ERECQLSMN1; SMN2ALDH1A1

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 4270/4885RECQL 2810/4885

“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.