SCHEMBL12554386

SCHEMBL12554386

COc1c(C)c(C)cc(C)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.55
HPGD P15428 1/20 0.55
GFER P55789 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
IDO1 P14902 2/20 0.46
SLC37A4 O43826 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 1/20 0.42
PLA2G2A P14555 2/20 0.42
MAPK1 P28482 2/20 0.40
PSMG3 Q9BT73 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39

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
SCHEMBL14094952 0.85 CYP3A4 (0.68) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL11295222 0.85 MAPT (0.49) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL2045227 0.84 CYP3A4 (0.50) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL12554393 0.82 POLB (0.54) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL1257863 0.81 CYP3A4 (0.50) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL12134840 0.80 POLB (0.49) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL8106142 0.80 CYP3A4 (0.54) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL31638876 0.80 CYP3A4 (0.63) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL18621792 0.80 CYP3A4 (0.87) POLBKMT2ACYP3A4MAPTMEN1
SCHEMBL677571 0.78 HPGD (0.54) POLBKMT2ACYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 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 POLB 2548/4885KMT2A 4194/4885CYP3A4 1204/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 POLB 2699/4885KMT2A 4207/4885CYP3A4 1158/4885

“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.