SCHEMBL3945233

SCHEMBL3945233

COc1ccc(CCC(=O)C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
F2RL1 P55085 1/20 0.50
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 2/20 0.45
FFAR1 O14842 2/20 0.45
POLB P06746 1/20 0.45
FKBP1A P62942 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3951320 0.85 GLA (0.47) GLANPSR1KMT2ARAB9AMEN1
SCHEMBL12290424 0.85 NPSR1 (0.41) GLANPSR1KMT2AKDM4EALDH1A1
SCHEMBL5642127 0.83 BACE1 (0.42) GLANPSR1ALDH1A1FFAR1POLB
SCHEMBL7436508 0.83 ALDH1A1 (0.46) KMT2AALDH1A1FFAR1
SCHEMBL5639921 0.80 BACE1 (0.61) GLANPSR1FFAR1
SCHEMBL11728918 0.79 F2RL1 (0.57) F2RL1KMT2AKDM4ENFKB1NFKB2
SCHEMBL6383003 0.78 F2RL1 (0.53) NPSR1F2RL1KMT2AKDM4ENFKB1
SCHEMBL3080438 0.77 NPSR1 (0.73) GLANPSR1F2RL1KMT2AKDM4E
SCHEMBL15569868 0.77 NPSR1 (1.00) GLANPSR1F2RL1KMT2AKDM4E
SCHEMBL11733081 0.75 F2RL1 (0.47) GLAF2RL1KMT2AKDM4ENFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
US-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB GLA 1299/4885NPSR1 66/4885F2RL1 335/4885

“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.