SCHEMBL4446760

SCHEMBL4446760

CC(C)(C)OC(=O)NCCc1ccc(OCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FFAR1 O14842 1/20 0.55
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
TAAR1 Q96RJ0 2/20 0.53
GAA P10253 1/20 0.53
IDO1 P14902 1/20 0.53
NAMPT P43490 1/20 0.53
PPARG P37231 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL13886735 0.94 NPC1 (0.57) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13886736 0.93 FFAR1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3004957 0.90 FFAR1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1541945 0.88 CA1 (0.64) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL572740 0.88 IDO1 (0.60) NPC1RAB9AMAPTCA12CA1
SCHEMBL31606699 0.87 CA1 (0.54) FFAR1CA12CA1CA2CA9
SCHEMBL8693925 0.87 CA12 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL19003451 0.87 ACACB (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL26964370 0.87 CA1 (0.56) KMT2ACA12CA1CA2CA9
SCHEMBL4656567 0.86 S1PR1 (0.60) FFAR1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7339079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-04 US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 US disclosed
EP-1625111-A4 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2007-04-25 EP disclosed
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-16 US disclosed
EP-1625111-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-15 EP disclosed
US-6979750-B1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-01 US disclosed
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-05 US disclosed
WO-2004093800-A2 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-11-04 WO disclosed
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP 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-20090105347-A1 THYRONAMINE DERIVATIVES AND ANALOGS AND METHODS OF USE THEREOF TPO, TSHR, THRB MEN1 179/4885KMT2A 4034/4885NPC1 2048/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB MEN1 185/4885KMT2A 3934/4885NPC1 2255/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB MEN1 179/4885KMT2A 4034/4885NPC1 2048/4885
US-20050267207-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB MEN1 185/4885KMT2A 3934/4885NPC1 2255/4885

“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.