SCHEMBL742036

SCHEMBL742036

CC(C)(C)OC(=O)N[C@H]1CC[C@](Cc2ccccc2)(C(=O)O)C[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM1A O60341 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ GRIN2B Q13224 1/20 0.38
▸ KCNA3 P22001 1/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ RORC P51449 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ NPFFR1 Q9GZQ6 1/20 0.35
▸ NPFFR2 Q9Y5X5 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 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
SCHEMBL4980874 0.85 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL30848506 0.77 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBKCNA3
SCHEMBL1503975 0.77 CPB1 (0.44) KMT2AL3MBTL1KDM1AMAOBCA1
SCHEMBL742035 0.74 KDM4E (0.34) KMT2AGRIN2BNFKB1
SCHEMBL1503774 0.74 BTK (0.40) KMT2AKDM1AMAOBRORCNFKB1
SCHEMBL2180797 0.73 UBE2M (0.55) KMT2AL3MBTL1MAOBKCNA3DRD2
SCHEMBL2180789 0.73 UBE2M (0.55) KMT2AL3MBTL1MAOBKCNA3DRD2
SCHEMBL2180793 0.73 UBE2M (0.55) KMT2AL3MBTL1MAOBKCNA3DRD2
SCHEMBL1504585 0.73 BTK (0.37) KMT2AL3MBTL1KDM1AMAOBRORC
SCHEMBL740804 0.73 BTK (0.37) KMT2AL3MBTL1KDM1AMAOBRORC

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-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — 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 (4 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-20050245565-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885L3MBTL1 385/4885KDM1A 3565/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R KMT2A 3179/4885L3MBTL1 309/4885KDM1A 3445/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KMT2A 3485/4885L3MBTL1 385/4885KDM1A 3565/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KMT2A 1453/4885L3MBTL1 4055/4885KDM1A 1134/4885

“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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