SCHEMBL6501023

SCHEMBL6501023

O=C1CC(C(=O)O)CCc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.42
PARP1 P09874 1/20 0.42
F3 P13726 1/20 0.42
PARP10 Q53GL7 1/20 0.42
NOTUM Q6P988 4/20 0.40
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
MAPT P10636 1/20 0.36
AR P10275 1/20 0.36
PBRM1 Q86U86 1/20 0.36
VHL P40337 1/20 0.36
ELOC Q15369 1/20 0.36
ELOB Q15370 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
SCHEMBL29958290 0.81 NOTUM (0.43) NOTUMSRD5A1SRD5A2MAPT
SCHEMBL27033717 0.81 NOTUM (0.43) NOTUMSRD5A1SRD5A2MAPT
SCHEMBL6501571 0.78 BACE1 (0.49) MAPT
SCHEMBL6501529 0.78 HTR7 (0.46) SRD5A1SRD5A2MAPT
SCHEMBL29174303 0.75 SIRT1 (0.48) NOTUMSRD5A1SRD5A2MAPT
SCHEMBL31293377 0.73 MAOB (0.40) NOTUMSRD5A1
SCHEMBL11339143 0.73 DRD2 (0.50) F7PARP1F3PARP10
SCHEMBL29174247 0.72 CYP1A2 (0.40) NOTUMMAPT
SCHEMBL6503113 0.72 NOTUM (0.40) NOTUMMAPT
SCHEMBL1151032 0.71 PBRM1 (0.59) F7PARP1F3PARP10SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 F7 2997/4885PARP1 2926/4885F3 4271/4885

“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.