SCHEMBL4456408

SCHEMBL4456408

CCc1ccccc1OCC=C[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
MCL1 Q07820 12/20 0.38
SSTR4 P31391 2/20 0.38
SSTR1 P30872 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35

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
SCHEMBL12021297 1.00 USP30 (0.40) USP30MCL1SSTR4SSTR1MEN1
SCHEMBL1751888 0.89 L3MBTL1 (0.36) SSTR4SSTR1MEN1KMT2ALMNA
SCHEMBL19696615 0.86 USP30 (0.44) USP30MCL1MEN1KMT2AALDH1A1
SCHEMBL12529480 0.85 ELANE (0.38) MEN1KMT2A
SCHEMBL1751631 0.85 ELANE (0.38) MEN1KMT2A
SCHEMBL14001843 0.85 ELANE (0.38) MEN1KMT2A
SCHEMBL12021128 0.84 MEN1 (0.33) SSTR4SSTR1MEN1KMT2ALMNA
SCHEMBL12021304 0.83 USP30 (0.45) USP30MCL1MEN1KMT2AALDH1A1
SCHEMBL12021160 0.82 DPP4 (0.37) SSTR4SSTR1MEN1KMT2ALMNA
SCHEMBL1751303 0.82 DPP4 (0.37) SSTR4SSTR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 US disclosed
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 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 (6 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 USP30 803/4885MCL1 41/4885SSTR4 4714/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 USP30 754/4885MCL1 42/4885SSTR4 4703/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 USP30 803/4885MCL1 41/4885SSTR4 4714/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 USP30 858/4885MCL1 43/4885SSTR4 4753/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 USP30 858/4885MCL1 43/4885SSTR4 4753/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 USP30 858/4885MCL1 43/4885SSTR4 4753/4885

“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.