SCHEMBL12554580

SCHEMBL12554580

COC(=O)c1ccc(C)cc1CSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.52
KDM4E B2RXH2 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 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
SCHEMBL12554590 0.85 KDM4E (0.51) L3MBTL1KDM4EMAPK1ALDH1A1HTT
SCHEMBL7573622 0.85 L3MBTL1 (0.51) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12772533 0.85 L3MBTL1 (0.54) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL21074369 0.85 L3MBTL1 (0.51) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL11274332 0.84 L3MBTL1 (0.58) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL31123647 0.84 L3MBTL1 (0.58) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554683 0.84 L3MBTL1 (0.50) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554698 0.83 L3MBTL1 (0.49) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL12554597 0.81 KDM4E (0.41) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL15150517 0.80 L3MBTL1 (0.49) L3MBTL1KDM4ECYP1A2CYP3A4CYP2C9

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 L3MBTL1 3648/4885KDM4E 2910/4885CYP1A2 983/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 L3MBTL1 4679/4885KDM4E 3027/4885CYP1A2 2083/4885

“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.