SCHEMBL878713

SCHEMBL878713

O=CCC1CCC(O)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32
SHBG P04278 1/20 0.31

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
SCHEMBL76463 0.86
SCHEMBL10920868 0.85
SCHEMBL6379288 0.83
SCHEMBL28352174 0.76 ADH1A (0.46)
SCHEMBL24197363 0.75 ESR2 (0.38)
SCHEMBL911290 0.75 EPHX2 (0.30) EPHX2
SCHEMBL826440 0.75
SCHEMBL388985 0.75
SCHEMBL14434326 0.74
SCHEMBL6290068 0.74 SMN1; SMN2 (0.32) TSHRSHBG

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-20090298749-A1 DALBAVANCIN COMPOSITIONS FOR TREATMENT OF BACTERIAL INFECTIONS VICURON PHARMACEUTICALS INC. 2009-12-03 US disclosed
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 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-20090298749-A1 DALBAVANCIN COMPOSITIONS FOR TREATMENT OF BACTERIAL INFECTIONS CUTA, MAGT1, C1S EPHX2 3961/4885TSHR 4681/4885SHBG 3437/4885

“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.