SCHEMBL12554240

SCHEMBL12554240

COCOc1cc(O)cc(C)c1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
ACHE P22303 2/20 0.58
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLO1 Q04760 1/20 0.43
POLB P06746 3/20 0.42
RECQL P46063 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BACE1 P56817 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL1390743 0.88 CYP3A4 (0.60) CYP3A4ACHEHPGDSMN1; SMN2TDP1
SCHEMBL12553846 0.86 GLO1 (0.47) CYP3A4ACHEHPGDSMN1; SMN2GLO1
SCHEMBL12587368 0.84 CYP3A4 (0.47) CYP3A4ACHEHPGDGLO1POLB
SCHEMBL12586318 0.83 CYP3A4 (0.58) CYP3A4ACHEHPGDSMN1; SMN2GLO1
SCHEMBL23484417 0.82 CYP3A4 (0.68) CYP3A4ACHEHPGDSMN1; SMN2TDP1
SCHEMBL12586708 0.81 CYP3A4 (0.40) CYP3A4ACHEHPGDGLO1POLB
SCHEMBL14363320 0.80 GLO1 (0.43) CYP3A4ACHEHPGDTDP1GLO1
SCHEMBL197898 0.79 CYP3A4 (0.81) CYP3A4ACHEHPGDSMN1; SMN2TDP1
SCHEMBL23804635 0.78 CYP3A4 (0.45) CYP3A4HPGDSMN1; SMN2POLBRECQL
SCHEMBL20681674 0.78 CYP3A4 (0.69) CYP3A4ACHEHPGDSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308861-B1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI R&D MAN CO LTD (JP) 2017-03-01 EP disclosed
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA CYP3A4 1204/4885ACHE 4488/4885HPGD 779/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 CYP3A4 1158/4885ACHE 4033/4885HPGD 333/4885

“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.