SCHEMBL4816625

SCHEMBL4816625

CCc1ccccc1OCCC[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)[C@@H](N)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
MC4R P32245 2/20 0.36
MC3R P41968 2/20 0.36
MC1R Q01726 2/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
DPP8 Q6V1X1 3/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL12021327 1.00 L3MBTL1 (0.39) L3MBTL1KDM4EMEN1KMT2ADPP4
SCHEMBL14025960 0.95 DPP4 (0.41) L3MBTL1KDM4EMEN1KMT2ADPP4
SCHEMBL12021130 0.91 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL12037500 0.87 XIAP (0.39) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL1751484 0.87 XIAP (0.39) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL12021172 0.86 L3MBTL1 (0.37) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL17213721 0.83 XIAP (0.35) L3MBTL1KDM4EMEN1KMT2AMC4R
SCHEMBL1750041 0.83 ELANE (0.39) MEN1KMT2A
SCHEMBL12529490 0.83 ELANE (0.39) MEN1KMT2A
SCHEMBL12021344 0.81 L3MBTL1 (0.41) L3MBTL1KDM4EMEN1KMT2AMAPT

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 9 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-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 (5 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 L3MBTL1 434/4885KDM4E 3837/4885MEN1 2970/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 L3MBTL1 420/4885KDM4E 3767/4885MEN1 3007/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 L3MBTL1 434/4885KDM4E 3837/4885MEN1 2970/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 L3MBTL1 389/4885KDM4E 3718/4885MEN1 2999/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 L3MBTL1 389/4885KDM4E 3718/4885MEN1 2999/4885

“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.