SCHEMBL2558253

SCHEMBL2558253

COc1cc(-c2ccc(C=O)cc2)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C9 P11712 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CHEK1 O14757 1/20 0.49
ERN1 O75460 4/20 0.49
KDM4E B2RXH2 3/20 0.47
APAF1 O14727 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
MCL1 Q07820 1/20 0.47
CASP8 Q14790 1/20 0.47
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
HPGD P15428 2/20 0.46
AOX1 Q06278 1/20 0.46
TRIM24 O15164 1/20 0.46

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
SCHEMBL3909451 0.87 CYP2C9 (0.62) ALDH1A1NPC1RAB9ACYP2C9NPSR1
SCHEMBL2558096 0.87 TRIM24 (0.57) ALDH1A1NPC1RAB9ACYP2C9NPSR1
SCHEMBL2770512 0.87 ALDH1A1 (0.67) ALDH1A1NPC1RAB9ACHEK1KDM4E
SCHEMBL29788086 0.83 CHEK1 (0.60) ALDH1A1CHEK1KDM4EAPAF1RECQL
SCHEMBL504872 0.83 CHEK1 (0.60) ALDH1A1CHEK1KDM4EAPAF1RECQL
SCHEMBL17177740 0.83 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ACHEK1KDM4E
SCHEMBL8960746 0.82 PDE4A (0.57) ALDH1A1CHEK1ERN1KDM4EAPAF1
SCHEMBL1921738 0.82 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ACHEK1KDM4E
SCHEMBL10459347 0.82 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ACHEK1KDM4E
SCHEMBL1921213 0.81 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ACHEK1ERN1

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-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
US-20190117642-A1 TARGETING AMP DEAMINASE 2 FOR AMELIORATING CRAVING FOR SUGAR AND OTHER SUBSTANCES REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2019-04-25 US disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP 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
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 (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-20190117642-A1 TARGETING AMP DEAMINASE 2 FOR AMELIORATING CRAVING FOR SUGAR AND OTHER SUBSTANCES AMPD2, AMPD1, AMPD3 ALDH1A1 679/4885NPC1 3386/4885RAB9A 2329/4885

“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.