SCHEMBL9008709

SCHEMBL9008709

CN1C(=O)CC(C(C)(C)C)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TSHR P16473 2/20 0.35
CYP19A1 P11511 1/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSP90AA1 P07900 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL2691341 0.78
SCHEMBL12897710 0.78 POLB (0.34) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL12197290 0.78 POLB (0.34) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL12384344 0.76 BRD4 (0.45) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL11580763 0.74 MAPT (0.34) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL22678969 0.73 BRD4 (0.37) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL10236402 0.73 BRD4 (0.37) KMT2AALDH1A1MEN1MAPTNPSR1
SCHEMBL19711769 0.73 KMT2A (0.40) KMT2AALDH1A1MAPTTSHRCYP19A1
SCHEMBL14296135 0.71 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTTSHR
SCHEMBL1705495 0.70 CRBN (0.43) KMT2AALDH1A1MEN1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957056-B2 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTIUTE FOR CANCER RESEARCH (US) 2015-02-17 US disclosed
US-8188141-B2 Isomigrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-05-29 US disclosed
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 US disclosed
US-20090124662-A1 Migrastatin analogs in the treatment of cancer SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2009-05-14 US disclosed
US-20090054488-A1 Isomigrastatin Analogs In The Treatment Of Cancer NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-26 US disclosed
US-20070037783-A1 Migrastatin analogs and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-02-15 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 (4 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-20070037783-A1 Migrastatin analogs and uses thereof FOXM1, MTX1, C3AR1 KMT2A 1763/4885ALDH1A1 1571/4885MEN1 44/4885
US-20090054488-A1 Isomigrastatin Analogs In The Treatment Of Cancer EDNRB, KDR, IGF1R KMT2A 4456/4885ALDH1A1 1703/4885MEN1 1012/4885
US-20090124662-A1 Migrastatin analogs in the treatment of cancer MTX1, MTNR1B, MTNR1A KMT2A 1915/4885ALDH1A1 2348/4885MEN1 32/4885
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF C3AR1, C1R, MRPS18A KMT2A 1918/4885ALDH1A1 1845/4885MEN1 109/4885

“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.