SCHEMBL12270601

SCHEMBL12270601

CB(O)c1ccc(COCc2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.47
▸ AGXT P21549 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ LPL P06858 2/20 0.45
▸ LIPG Q9Y5X9 2/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ ORAI2 Q96SN7 1/20 0.45
▸ ORAI3 Q9BRQ5 1/20 0.45
▸ TRPV6 Q9H1D0 1/20 0.45
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAOB P27338 2/20 0.38
▸ LYPLA1 O75608 1/20 0.37
▸ LYPLA2 O95372 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ CASP3 P42574 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL12270542 0.90 ORAI1 (0.50) KCNH2AGXTCA2LPLLIPG
SCHEMBL17298142 0.86 LPL (0.64) KCNH2AGXTCA2LPLLIPG
SCHEMBL2399139 0.86 ORAI1 (0.64) KCNH2AGXTCA2LPLLIPG
SCHEMBL12270437 0.84 MAOB (0.57) NPC1RAB9AMAOBPARP10CASP3
SCHEMBL12212599 0.81 ORAI1 (0.65) CA2LPLLIPGORAI1ORAI2
SCHEMBL3161372 0.81 AGXT (0.64) KCNH2AGXTCA2CA1CA9
SCHEMBL9617939 0.81 AGXT (0.64) KCNH2AGXTCA2CA1CA9
SCHEMBL16151496 0.80 TRPV6 (0.55) KCNH2AGXTCA2LPLLIPG
Potassium SCHEMBL586332 0.79 AGXT (0.61) KCNH2AGXTCA2CA1CA9
Lithium SCHEMBL585057 0.79 AGXT (0.61) KCNH2AGXTCA2CA1CA9

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-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 KCNH2 3166/4885AGXT 756/4885CA2 1871/4885

“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.

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