SCHEMBL718963

SCHEMBL718963

Cc1c(C(=O)C(C)C)oc2ccc(OCC3CC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL720808 0.81 KDM4E (0.55) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL720265 0.79 CASP3 (0.60) KDM4EL3MBTL1NPC1RAB9AMEN1
SCHEMBL718528 0.78 MAOB (0.42) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL718651 0.77 NPC1 (0.44) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL718514 0.75 MCL1 (0.43) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL26676605 0.75 SLC26A4 (0.62) KDM4EALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL30664440 0.74 POLB (0.64) KDM4EALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL720361 0.73 POLB (0.49) KDM4EALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL26676604 0.72 ALDH1A1 (0.68) KDM4EALDH1A1L3MBTL1POLBMEN1
SCHEMBL23665874 0.72 MCL1 (0.70) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885L3MBTL1 4088/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885L3MBTL1 4088/4885

“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.