SCHEMBL477692

SCHEMBL477692

OC(c1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.72
LTA4H P09960 5/20 0.55
TSHR P16473 1/20 0.55
NR1H2 P55055 1/20 0.54
BAX Q07812 1/20 0.54
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAOA P21397 1/20 0.48
PTGS1 P23219 1/20 0.46
IGFBP3 P17936 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PARP10 Q53GL7 1/20 0.45
NPY5R Q15761 1/20 0.45
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45

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
SCHEMBL21133961 0.98 SRD5A2 (0.75) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL28016900 0.88 SRD5A2 (0.59) SRD5A2LTA4HMAOANPY5R
SCHEMBL11605458 0.86 SRD5A2 (0.62) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL477413 0.85 PTGS1 (0.59) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL13886755 0.85 PTGS1 (0.59) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL11605250 0.84 SMN1; SMN2 (0.74) SRD5A2TSHRSMN1; SMN2
SCHEMBL8895993 0.83 PTGS1 (0.61) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL8671295 0.83 SMN1; SMN2 (0.58) SRD5A2TSHRCA1CA2SMN1; SMN2
SCHEMBL13326419 0.81 LTA4H (0.60) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL25864476 0.81 LTA4H (0.60) SRD5A2LTA4HTSHRNR1H2BAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023057548-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-04-13 WO disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP 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-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-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 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-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

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 SRD5A2 34/4885LTA4H 1070/4885TSHR 2/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB SRD5A2 37/4885LTA4H 1059/4885TSHR 2/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB SRD5A2 34/4885LTA4H 1070/4885TSHR 2/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT SRD5A2 436/4885LTA4H 2533/4885TSHR 1479/4885

“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.