SCHEMBL720808

SCHEMBL720808

COCCOc1ccc2oc(C(=O)C(C)C)c(C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
NPC1 O15118 11/20 0.53
RAB9A P51151 11/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL720265 0.81 CASP3 (0.60) KDM4ENPC1RAB9AL3MBTL1MEN1
SCHEMBL718963 0.81 KDM4E (0.53) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL717995 0.78 RAB9A (0.56) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL719315 0.77 L3MBTL1 (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL720361 0.74 POLB (0.49) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9989066 0.74 KDM4E (0.80) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL719381 0.73 RAB9A (0.59) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23665874 0.73 MCL1 (0.70) KDM4ERAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL30933195 0.73 RAB9A (0.54) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL719276 0.73 KCNH2 (0.63) KDM4ENPC1RAB9AL3MBTL1KMT2A

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 1907/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885NPC1 902/4885RAB9A 2454/4885

“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.