SCHEMBL12270447

SCHEMBL12270447

Cc1ccc(COCCOCc2ccc(C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.58
KCNH2 Q12809 3/20 0.53
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
IDO1 P14902 1/20 0.46
MAOB P27338 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
CHRM3 P20309 3/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL7606495 0.91 AGXT (0.50) AGXTKCNH2CA1CA2CA9
SCHEMBL19543321 0.91 AGXT (0.50) AGXTKCNH2CA1CA2CA9
SCHEMBL3161372 0.89 AGXT (0.64) AGXTKCNH2CA1CA2CA9
SCHEMBL9617939 0.89 AGXT (0.64) AGXTKCNH2CA1CA2CA9
SCHEMBL16449105 0.89 AGXT (0.48) AGXTKCNH2CA1CA2CA9
SCHEMBL7838626 0.88 AGXT (0.52) AGXTKCNH2CA1CA2CA9
SCHEMBL16151476 0.88 KCNH2 (0.62) AGXTKCNH2CA1CA2CA9
SCHEMBL16682540 0.87 AGXT (0.52) AGXTKCNH2CA1CA2CA9
SCHEMBL16682541 0.87 AGXT (0.47) AGXTKCNH2CA1CA2CA9
SCHEMBL9479361 0.87 APP (0.51) AGXTKCNH2MAOBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115426-A1 POLYMERS CONTAINING SPIROTRUXENE DERIVATIVES AS THE REPEATING UNITS, AND ELECTROLUMINESCENT DEVICES CONTAINING SAID POLYMERS MERCK PATENT GMBH (DE) 2024-06-06 WO disclosed
EP-3559078-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-10-25 EP disclosed
US-20200144505-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2020-05-07 US disclosed
US-20190322796-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-24 US disclosed
WO-2018114882-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-28 WO disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 AGXT 756/4885KCNH2 3166/4885CA1 3030/4885

“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.