SCHEMBL3264188

SCHEMBL3264188

COn1ccc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 1/20 0.38
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL3260481 0.77 LIPG (0.45) NOTUMGABRA1GABRG2GABRB3GABRA3
SCHEMBL8937621 0.76 KDM4E (0.47) ALDH1A1ALOX15LMNAKDM4EPTPN1
SCHEMBL3493724 0.72 NOTUM (0.49) NOTUMALDH1A1ALOX15LMNAKDM4E
SCHEMBL3491824 0.71 NOTUM (0.61) NOTUMALDH1A1ALOX15KDM4EMAOA
SCHEMBL3646104 0.70 CTNNB1 (0.44) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3496060 0.68 NOTUM (0.64) NOTUMALDH1A1LMNAKDM4EHTT
Phthalic Acid SCHEMBL7745954 0.66 ALDH1A1 (0.78) ALDH1A1ALOX15KDM4EHPGDHSD17B10
SCHEMBL27633481 0.66 LIPG (0.42) NOTUMGABRA1GABRG2GABRB3GABRA3
SCHEMBL22955702 0.66 MAPT (0.50) ALDH1A1LMNAKDM4E
SCHEMBL23780587 0.64 POLB (0.42) ALDH1A1LMNAKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 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 (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-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB NOTUM 731/4885GABRA1 3719/4885GABRG2 3630/4885

“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.