SCHEMBL3045668

SCHEMBL3045668

CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/CCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.45
STAT6 P42226 1/20 0.45
KLK7 P49862 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL3045671 1.00 FKBP1A (0.45) FKBP1ASTAT6KLK7MEN1KMT2A
SCHEMBL3046635 0.97 FKBP1A (0.45) FKBP1ASTAT6KLK7MEN1KMT2A
SCHEMBL3046636 0.97 FKBP1A (0.45) FKBP1ASTAT6KLK7MEN1KMT2A
SCHEMBL3046386 0.94 STAT6 (0.50) FKBP1ASTAT6KLK7MEN1KMT2A
SCHEMBL3046383 0.94 STAT6 (0.50) FKBP1ASTAT6KLK7MEN1KMT2A
SCHEMBL3051710 0.87 KLK7 (0.47) KLK7MEN1KMT2AALDH1A1LMNA
SCHEMBL3051711 0.87 KLK7 (0.47) KLK7MEN1KMT2AALDH1A1LMNA
SCHEMBL8917522 0.86 ACE2 (0.42) STAT6KLK7MEN1KMT2AALDH1A1
SCHEMBL8919439 0.83 ACE2 (0.44) FKBP1ASTAT6KLK7MEN1KMT2A
SCHEMBL8917960 0.81 HSD17B10 (0.41) MEN1KMT2AALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
EP-1578777-B1 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2008-11-26 EP disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 US disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 US disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 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 (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-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents BIRC3, API5, BID FKBP1A 1553/4885STAT6 3862/4885KLK7 4561/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 FKBP1A 1454/4885STAT6 3859/4885KLK7 4439/4885

“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.