SCHEMBL1751585

SCHEMBL1751585

CCc1ccccc1OC/C=C/N1CCC[C@@H]1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
HTR1A P08908 1/20 0.35
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
TACR1 P25103 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
SCHEMBL1751111 0.76 L3MBTL1 (0.57) L3MBTL1KDM4EMEN1KMT2AMAPT
SCHEMBL1751887 0.72 L3MBTL1 (0.43) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL12021126 0.71 L3MBTL1 (0.39) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL12529495 0.67 NISCH (0.36) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL1751586 0.67 NISCH (0.36) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL1751888 0.67 L3MBTL1 (0.36) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL7246918 0.66 CARM1 (0.40)
SCHEMBL27721820 0.66 L3MBTL1 (0.56) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL2557802 0.63 L3MBTL1 (0.56) L3MBTL1KDM4EMEN1KMT2ATSHR
SCHEMBL1751084 0.62 HRH3 (0.40) KDM4E

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 11 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-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 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 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
US-20090048183-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.