SCHEMBL1608653

SCHEMBL1608653

NCCN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 2/20 0.40
SLC6A9 P48067 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
GLA P06280 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
SCHEMBL1643026 1.00 ALOX15 (0.59) ALOX15HSD17B10SIGMAR1SLC6A9CYP1A2
SCHEMBL34418 1.00 ALOX15 (0.59) ALOX15HSD17B10SIGMAR1SLC6A9CYP1A2
SCHEMBL30291153 1.00 ALOX15 (0.59) ALOX15HSD17B10SIGMAR1SLC6A9CYP1A2
SCHEMBL24709144 0.90 ALOX15 (0.48) ALOX15HSD17B10SIGMAR1SLC6A9CYP1A2
SCHEMBL8033814 0.87 SMN1; SMN2 (0.47) ALOX15HSD17B10SIGMAR1CYP1A2MAPK1
SCHEMBL20366148 0.87 SMN1; SMN2 (0.47) ALOX15HSD17B10SIGMAR1CYP1A2MAPK1
SCHEMBL8512446 0.87 SMN1; SMN2 (0.47) ALOX15HSD17B10SIGMAR1CYP1A2MAPK1
SCHEMBL8742080 0.85 HSD17B10 (0.62) ALOX15HSD17B10SLC6A9CYP1A2MAPK1
SCHEMBL23646017 0.85 HSD17B10 (0.62) ALOX15HSD17B10SLC6A9CYP1A2MAPK1
SCHEMBL8510307 0.85 SIGMAR1 (0.47) ALOX15HSD17B10SIGMAR1CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206720-B1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2020-04-22 EP disclosed
US-20170327520-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2017-11-16 US disclosed
EP-2300033-B1 COLLAGEN PEPTIDE CONJUGATES AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2016-07-20 EP disclosed
WO-2016058704-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES SCV GMBH (DE) 2016-04-21 WO disclosed
US-8575311-B2 Collagen peptide conjugates and uses therefor PURDUE RESEARCH FOUNDATION (US) 2013-11-05 US disclosed
US-20110081324-A1 COLLAGEN PEPTIDE CONJUGATES AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2011-04-07 US disclosed
EP-1637524-A1 10-substituted 1-, 4, 7,-tris (carboxymethyl)-1,4,7,10-tetraazacyclo-dodecane derivative for use as contrast agents Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-03-22 EP 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-20170327520-A1 CONJUGATED BISPHOSPHONATES FOR THE DIAGNOSIS AND THERAPY OF BONE DISEASES PTH1R, VDR, MEN1 ALOX15 4027/4885HSD17B10 3937/4885SIGMAR1 3668/4885
US-20110081324-A1 COLLAGEN PEPTIDE CONJUGATES AND USES THEREFOR COL14A1, COL1A1, COL2A1 ALOX15 1147/4885HSD17B10 3467/4885SIGMAR1 3731/4885

“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.