SCHEMBL12453260

SCHEMBL12453260

CCOc1cc(OCC)c(CNCCNCc2c(OCC)cc(OCC)cc2OCC)c(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.44
▸ CD274 Q9NZQ7 3/20 0.41
▸ CYP1A2 P05177 4/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NQO1 P15559 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL13114968 0.82 CD274 (0.48) CD274PDCD1
SCHEMBL3188344 0.77 CYP1A2 (0.55) SLC2A1CD274CYP1A2CYP2D6PDCD1
SCHEMBL16575424 0.77 NQO1 (0.46) ALDH1A1NQO1KDM4EADORA3MAPK1
SCHEMBL15865628 0.72 APLNR (0.48) SLC2A1CD274PDCD1ALDH1A1
SCHEMBL17955664 0.72 CD274 (0.46) CD274PDCD1NQO1KDM4EMAPK1
SCHEMBL13114964 0.71 PTPN1 (0.53) CD274ALDH1A1KDM4EKMT2A
SCHEMBL6630377 0.70 NQO1 (0.48) ALDH1A1NQO1KDM4EADORA3MAPK1
SCHEMBL31376349 0.69 KDM4E (0.47) ALDH1A1NQO1KDM4EADORA3KMT2A
SCHEMBL14562274 0.69 TSHR (0.48) ALDH1A1NQO1KDM4EMAPK1KMT2A
SCHEMBL6630372 0.69 NQO1 (0.46) ALDH1A1NQO1KDM4EADORA3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 — — EP disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 — — US disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 — — US disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 — — US disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 — — US disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 — — 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 SLC2A1 1314/4885CD274 1003/4885CYP1A2 2997/4885

“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.

Send feedback