SCHEMBL3636719

SCHEMBL3636719

CC(C)(C)COc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.55
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
SOD1 P00441 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL18587804 0.86 MAOB (0.49) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL10534532 0.86 PDK2 (0.45) MAOBALDH1A1LMNACYP3A4
SCHEMBL31173236 0.85 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL27075523 0.85 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL19384427 0.85 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL19384488 0.84 MAOB (0.50) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL16256459 0.84 MAOB (0.50) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL23363616 0.82 MAOB (0.49) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL16256451 0.82 MAOB (0.49) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL14241249 0.82 MAOB (0.49) MAOBRAB9AHTTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681864-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-07-22 EP disclosed
WO-2019053634-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2019-03-21 WO disclosed
EP-3044216-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE University of Washington through its Center for Commercialization (US) 2016-07-20 EP disclosed
US-9233996-B2 Multi-metallic organometallic complexes, and related polymers, compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-01-12 US disclosed
EP-2917200-A1 ARYL DERIVATIVES AND USES THEREOF Jacobus Pharmaceutical Company, Inc. (US) 2015-09-16 EP disclosed
WO-2015026990-A2 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROLASE UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2015-02-26 WO disclosed
WO-2014074778-A1 ARYL DERIVATIVES AND USES THEREOF JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2014-05-15 WO disclosed
US-20130066029-A1 MULTI-METALLIC ORGANOMETALLIC COMPLEXES, AND RELATED POLYMERS, COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2013-03-14 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-2155183-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals Ltd. (CA) 2010-02-24 EP disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
WO-2009005460-A1 SMALL MOLECULE INHIBITORS OF NAVL.7 SODIUM CHANNELS FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-01-08 WO disclosed
WO-2009005459-A1 PHENYL-1,2, 3,4-TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF A PAIN DISORDER ASTRAZENECA AB (SE) 2009-01-08 WO disclosed
WO-2008141446-A1 AMINO ACID DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-27 WO disclosed
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ARTESIAN THERAPEUTICS, INC. (CA) 2008-10-23 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 MAOB 1381/4885RAB9A 58/4885HTT 1110/4885
US-20130066029-A1 MULTI-METALLIC ORGANOMETALLIC COMPLEXES, AND RELATED POLYMERS, COMPOSITIONS, METHODS AND SYSTEMS PUF60, PICALM, PCBP1 MAOB 1310/4885RAB9A 4421/4885HTT 2392/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 MAOB 3224/4885RAB9A 1695/4885HTT 1727/4885
US-20080262226-A1 METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR AND A LINKER AND METHODS OF MAKING COMPOUNDS HAVING A BETA-ADRENERGIC INHIBITOR, A LINKER AND A PHOSPHODIESTERASE INHIBITOR ADRB2, ADRB3, ADRB1 MAOB 18/4885RAB9A 1742/4885HTT 4248/4885

“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.