SCHEMBL3960504

SCHEMBL3960504

CCOC(=O)OC(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
MMP8 P22894 1/20 0.44
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
XBP1 P17861 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3960502 1.00 MEN1 (0.49) MEN1KMT2ACYP1A2CTDSP1MMP8
SCHEMBL3321160 0.86 CYP1A2 (0.56) CYP1A2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3321163 0.86 CYP1A2 (0.56) CYP1A2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3856527 0.80 CYP1A2 (0.53) KMT2ACYP1A2LMNASMN1; SMN2ALDH1A1
SCHEMBL1941433 0.80 CYP1A2 (0.53) KMT2ACYP1A2LMNASMN1; SMN2ALDH1A1
SCHEMBL1941434 0.80 CYP1A2 (0.53) KMT2ACYP1A2LMNASMN1; SMN2ALDH1A1
SCHEMBL3321162 0.80 CYP1A2 (0.56) CYP1A2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL28444789 0.77 MEN1 (0.47) MEN1KMT2ACYP1A2L3MBTL1SMN1; SMN2
SCHEMBL24667207 0.75 CYP1A2 (0.47) MEN1KMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL27713535 0.75 CYP1A2 (0.47) MEN1KMT2ACYP1A2LMNASMN1; SMN2

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
EP-1386663-B1 MICROENCAPSULATED METAL CATALYST JAPAN SCIENCE & TECH AGENCY (JP) 2009-04-15 EP disclosed
US-7488698-B2 Microencapsulated metal catalyst JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2009-02-10 US disclosed
US-20080076662-A1 Microencapsulated metal catalyst KOBAYASHI SHU 2008-03-27 US disclosed
US-7307193-B2 Catalyst containing a Group VIII metal encapsulated in a polymer that has side chains containing an aromatic substituent; stable even in air, easy to recover, and reusable JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-12-11 US disclosed
US-20040077905-A1 Microencapsulated metal catalyst JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-04-22 US disclosed
EP-1386663-A1 MICROENCAPSULATED METAL CATALYST Japan Science and Technology Corporation (JP) 2004-02-04 EP disclosed
US-6534657-B2 Transition metal complexes of chiral phosphine ligands, useful as catalyst in asymmetric reactions, such as hydrogenation, hydride transfer, allylic alkylation, hydrosilylation, hydroboration, hydrovinylation, isomerization etc. THE PENN STATE RESEARCH FOUNDATION 2003-03-18 US disclosed
US-20020091280-A1 Transition metal complexes of chiral phosphine ligands, useful as catalyst in asymmetric reactions, such as hydrogenation, hydride transfer, allylic alkylation, hydrosilylation, hydroboration, hydrovinylation, isomerization etc. THE PENN STATE RESEARCH FOUNDATION 2002-07-11 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 (2 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-20040077905-A1 Microencapsulated metal catalyst CHMP4B, LIPA, MGAM MEN1 1353/4885KMT2A 949/4885CYP1A2 1928/4885
US-20020091280-A1 Transition metal complexes of chiral phosphine ligands, useful as catalyst in asymmetric reactions, such as hydrogenation, hydride transfer, allylic alkylation, hydrosilylation, hydroboration, hydrovinylation, isomerization etc. AGPAT2, AGL, HCK MEN1 1470/4885KMT2A 1090/4885CYP1A2 870/4885

“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.