SCHEMBL9893596

SCHEMBL9893596

Cc1cc(C(C)(C)C)ccc1OCc1ccc(B(O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.54
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 1/20 0.49
KDM4E B2RXH2 4/20 0.48
FFAR4 Q5NUL3 2/20 0.43
ENPP2 Q13822 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.40
APP P05067 1/20 0.40
NR4A2 P43354 2/20 0.40
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
FFAR1 O14842 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 0.85 MRGPRX4 (0.64) MRGPRX4RXRARXRBRXRGKDM4E
SCHEMBL2561404 0.84 MRGPRX4 (0.51) MRGPRX4RXRARXRBRXRGFFAR4
SCHEMBL2554749 0.81 MRGPRX4 (0.53) MRGPRX4KDM4EFFAR4ENPP2ALDH1A1
SCHEMBL12295554 0.80 MRGPRX4 (0.68) MRGPRX4RXRARXRBRXRGKDM4E
SCHEMBL12889980 0.79 MRGPRX4 (0.52) MRGPRX4RXRARXRBRXRGKDM4E
SCHEMBL8460108 0.79 RXRA (0.76) MRGPRX4RXRARXRBRXRGFFAR4
SCHEMBL6833481 0.78 ENPP2 (0.52) MRGPRX4FFAR4ENPP2RAB9AL3MBTL1
SCHEMBL29954144 0.78 LIPE (0.57) MRGPRX4RXRARXRBRXRGFFAR4
SCHEMBL1163386 0.78 LIPE (0.57) MRGPRX4RXRARXRBRXRGFFAR4
SCHEMBL2560319 0.76 MRGPRX4 (0.50) MRGPRX4RXRARXRBRXRGKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
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 (2 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 243/4885RXRA 1479/4885RXRB 921/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MRGPRX4 243/4885RXRA 1479/4885RXRB 921/4885

“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.