SCHEMBL2558750

SCHEMBL2558750

Cc1cc(C(C)(C)C)ccc1OCc1cccc(B(O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.64
ENPP2 Q13822 4/20 0.47
KDM4E B2RXH2 2/20 0.45
FFAR4 Q5NUL3 5/20 0.44
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
SRC P12931 1/20 0.42
FFAR1 O14842 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL9946102 0.88 MRGPRX4 (0.62) MRGPRX4KDM4EFFAR4IGF1RMET
SCHEMBL2556265 0.85 MRGPRX4 (0.61) MRGPRX4ENPP2FFAR4FFAR1LPL
SCHEMBL9893596 0.85 MRGPRX4 (0.54) MRGPRX4ENPP2KDM4EFFAR4FFAR1
SCHEMBL2559560 0.83 MRGPRX4 (0.63) MRGPRX4ENPP2FFAR4FFAR1
SCHEMBL15701532 0.82 MRGPRX4 (0.64) MRGPRX4KDM4EFFAR4
SCHEMBL15701557 0.82 MRGPRX4 (0.67) MRGPRX4KDM4EFFAR4IGF1RMET
SCHEMBL12295554 0.80 MRGPRX4 (0.68) MRGPRX4KDM4EFFAR4RXRARXRB
SCHEMBL22480871 0.78 MRGPRX4 (1.00) MRGPRX4RXRARXRBRXRG
SCHEMBL2557599 0.78 ENPP2 (0.51) MRGPRX4ENPP2LPLLIPG
SCHEMBL1163386 0.77 LIPE (0.57) MRGPRX4ENPP2FFAR4FFAR1RXRA

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 14 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-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP 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-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO 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 243/4885ENPP2 147/4885KDM4E 4270/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MRGPRX4 243/4885ENPP2 147/4885KDM4E 4270/4885

“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.