SCHEMBL5211517

SCHEMBL5211517

CC(C)(C)OC(=O)COCCCCOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
EPHX1 P07099 2/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31
CES2 O00748 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7939089 0.99 MEN1 (0.50) KMT2AMEN1KDM4CNPC1RAB9A
SCHEMBL10007365 0.87 MEN1 (0.49) KMT2AMEN1KDM4CNPC1RAB9A
SCHEMBL24675724 0.85 MEN1 (0.48) KMT2AMEN1KDM4CNPC1RAB9A
SCHEMBL22071027 0.83 KMT2A (0.49) KMT2AMEN1KDM4CPOLBLMNA
SCHEMBL5218731 0.82 MEN1 (0.35) KMT2AMEN1
SCHEMBL18294545 0.82 MEN1 (0.35) KMT2AMEN1
SCHEMBL5218740 0.82 MEN1 (0.35) KMT2AMEN1
SCHEMBL21068614 0.81 KMT2A (0.47) KMT2AMEN1KDM4CCES2
SCHEMBL23930447 0.81 MEN1 (0.43) KMT2AMEN1KDM4CNPC1RAB9A
SCHEMBL8014306 0.81 MEN1 (0.58) KMT2AMEN1KDM4CNPC1RAB9A

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-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 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 (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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 KMT2A 2450/4885MEN1 2740/4885KDM4C 2477/4885

“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.