SCHEMBL3495038

SCHEMBL3495038

COC(=O)c1cc(OC)c(OC)c(-n2c(C)c(Cc3ccccc3)c(C(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37

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
SCHEMBL3494927 0.81 KMT2A (0.43) KMT2AMEN1ATMALDH1A1
SCHEMBL3495080 0.77 NOTUM (0.45) PKMMAPK1L3MBTL1HPGDTUBB4A
SCHEMBL4985664 0.76 PDE4B (0.43) KMT2AMEN1PKMMAPTMAPK1
SCHEMBL3493427 0.74 MEN1 (0.42) PLA2G2AKMT2AMEN1MAPTL3MBTL1
SCHEMBL16143289 0.73 HPGD (0.52) PLA2G2AMAPTMAPK1L3MBTL1LMNA
SCHEMBL29136495 0.69 LMNA (0.58) PLA2G2AMAPTL3MBTL1LMNAHPGD
SCHEMBL3494815 0.68 NR4A2 (0.46) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL30102538 0.66 HPGD (0.66) MAPTMAPK1L3MBTL1LMNAHPGD
SCHEMBL28903575 0.66 HPGD (0.66) MAPTMAPK1L3MBTL1LMNAHPGD
SCHEMBL3493834 0.66 MAPK1 (0.50) KMT2AMEN1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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 (1 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 PLA2G2A 3797/4885KMT2A 952/4885MEN1 750/4885

“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.