SCHEMBL2643604

SCHEMBL2643604

O=Cc1ccc(/C=C/C=C/C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HCAR2 Q8TDS4 2/20 0.50
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
TYR P14679 1/20 0.50
AKR1B1 P15121 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
DPP4 P27487 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
CA14 Q9ULX7 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
SCHEMBL2643111 1.00 CYP1A2 (0.51) CYP1A2HSD17B10HCAR2CA12AKR1B10
SCHEMBL210124 0.85 HCAR2 (0.68) CYP1A2HSD17B10HCAR2CA12AKR1B10
SCHEMBL210125 0.85 HCAR2 (0.68) CYP1A2HSD17B10HCAR2CA12AKR1B10
SCHEMBL10338866 0.83 TYR (0.73) CYP1A2HSD17B10HCAR2CA12AKR1B10
SCHEMBL482501 0.83 TYR (0.73) CYP1A2HSD17B10HCAR2CA12AKR1B10
SCHEMBL9998594 0.83 TYR (0.73) CYP1A2HSD17B10HCAR2CA12AKR1B10
Juarezic Acid SCHEMBL436113 0.83 HDAC3 (0.71) CYP1A2HCAR2HDAC3HDAC4HDAC1
Juarezic Acid SCHEMBL474728 0.83 HDAC3 (0.71) CYP1A2HCAR2HDAC3HDAC4HDAC1
Juarezic Acid SCHEMBL11522747 0.83 HDAC3 (0.71) CYP1A2HCAR2HDAC3HDAC4HDAC1
Juarezic Acid SCHEMBL144680 0.83 HDAC3 (0.71) CYP1A2HCAR2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509509-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-03-02 EP disclosed
US-20040116483-A1 Glucagon antagonists/inverse agonists BEHRENS CARSTEN (DK) 2004-06-17 US disclosed
WO-2003097619-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2003-11-27 WO disclosed
US-6649641-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-18 US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 US disclosed
EP-1345890-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-09-24 EP disclosed
US-20020187982-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2002-12-12 US disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 WO disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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-20020187982-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP1A2 1974/4885HSD17B10 645/4885HCAR2 308/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CYP1A2 1974/4885HSD17B10 645/4885HCAR2 308/4885

“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.