SCHEMBL8523932

SCHEMBL8523932

C=CCN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
OPRD1 P41143 8/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A9 P48067 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 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
SCHEMBL27391201 0.85 ATM (0.37) HSD17B10NPC1RAB9AOPRD1OPRM1
SCHEMBL24799219 0.82 NPC1 (0.35) HSD17B10NPC1RAB9AOPRD1KDM4E
SCHEMBL173508 0.81 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1SLC6A9
Tetraxetan SCHEMBL2017956 0.81 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1SLC6A9
SCHEMBL3503521 0.81 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1SLC6A9
Tetraxetan SCHEMBL2635294 0.81 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1SLC6A9
Tetraxetan SCHEMBL18018 0.81 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1SLC6A9
SCHEMBL321989 0.81 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1SLC6A9
SCHEMBL6848102 0.81 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1SLC6A9
SCHEMBL3660521 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144284-A1 FUNCTIONALISED GRAPHENE BLANFORD, Christopher (GB) 2019-05-16 US disclosed
US-10173898-B2 Functionalized graphene BLANFORD, Christopher (GB) 2019-01-08 US disclosed
US-20170081195-A1 FUNCTIONALISED GRAPHENE WEHNER, MIRJA (DE) 2017-03-23 US disclosed
US-20170081195-A1 FUNCTIONALISED GRAPHENE WEHNER, MIRJA (DE) 2017-03-23 US disclosed
WO-2015170124-A1 FUNCTIONALISED GRAPHENE THE UNIVERSITY OF MANCHESTER (GB) 2015-11-12 WO disclosed
US-5919431-A 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed
EP-0730586-A1 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES, THEIR USE, PHARMACEUTICALS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1996-09-11 EP disclosed
WO-1995014678-A1 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES, THEIR USE, PHARMACEUTICALS CONTAINING THEM AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1995-06-01 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 (3 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-20190144284-A1 FUNCTIONALISED GRAPHENE GIGYF2, GLMN, COXFA4 HSD17B10 2194/4885NPC1 4433/4885RAB9A 2472/4885
US-20170081195-A1 FUNCTIONALISED GRAPHENE GIGYF2, GLMN, COXFA4 HSD17B10 2194/4885NPC1 4433/4885RAB9A 2472/4885
US-10173898-B2 Functionalized graphene GIGYF2, GLMN, GYPA HSD17B10 2473/4885NPC1 4420/4885RAB9A 2249/4885

“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.