SCHEMBL22874

SCHEMBL22874

COc1cccc(COc2cccc(B(O)O)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.70
MAOB P27338 10/20 0.61
MRGPRX4 Q96LA9 2/20 0.56
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
APP P05067 1/20 0.51
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL2560615 0.94 MAOB (0.66) ENPP2MAOBMRGPRX4IDO1AGXT
SCHEMBL23719 0.91 ENPP2 (0.65) ENPP2MAOBMRGPRX4APPRAB9A
SCHEMBL22563 0.89 ENPP2 (0.67) ENPP2MAOBAPPRAB9A
SCHEMBL15331009 0.88 ENPP2 (0.74) ENPP2MAOBMRGPRX4TP53PKM
SCHEMBL16687446 0.86 ENPP2 (0.58) ENPP2MAOBMRGPRX4APPRAB9A
SCHEMBL29951430 0.85 MAOB (0.63) ENPP2MAOBIDO1
SCHEMBL2555516 0.85 ENPP2 (0.59) ENPP2MAOBMRGPRX4SMN1; SMN2
SCHEMBL22315 0.84 CYP4F2 (0.58) ENPP2MAOBPKMRAB9A
SCHEMBL5140 0.83 ENPP2 (1.00) ENPP2RAB9ARELA
SCHEMBL7344145 0.83 ENPP2 (1.00) ENPP2RAB9ARELA

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-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-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP 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-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 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 ENPP2 147/4885MAOB 780/4885MRGPRX4 243/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ENPP2 147/4885MAOB 780/4885MRGPRX4 243/4885

“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.