SCHEMBL477413

SCHEMBL477413

OC(c1ccccc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
SRD5A2 P31213 1/20 0.56
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX5 P09917 1/20 0.50
AKR1C3 P42330 1/20 0.48
MAOB P27338 1/20 0.48
LTA4H P09960 2/20 0.48
TSHR P16473 1/20 0.48
NPY5R Q15761 1/20 0.43
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL13886755 1.00 PTGS1 (0.59) PTGS1SRD5A2MEN1CYP2D6KMT2A
SCHEMBL8895993 0.98 PTGS1 (0.61) PTGS1SRD5A2MEN1CYP2D6KMT2A
SCHEMBL8808481 0.90 PTGS1 (0.54) PTGS1SRD5A2MEN1CYP2D6KMT2A
SCHEMBL9631581 0.86 PTGS1 (0.61) PTGS1SRD5A2MEN1CYP2D6KMT2A
SCHEMBL477692 0.85 SRD5A2 (0.72) PTGS1SRD5A2LTA4HTSHRNPY5R
SCHEMBL21133961 0.83 SRD5A2 (0.75) SRD5A2LTA4HTSHRNR1H2BAX
SCHEMBL9561403 0.82 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11388011 0.82 PTGS1 (0.57) PTGS1SRD5A2MEN1CYP2D6KMT2A
SCHEMBL10547121 0.82 PTGS1 (0.67) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL20344596 0.82 PTGS1 (0.57) PTGS1SRD5A2MEN1CYP2D6KMT2A

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-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-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
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 PTGS1 592/4885SRD5A2 34/4885MEN1 179/4885
US-20060035980-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB PTGS1 594/4885SRD5A2 37/4885MEN1 185/4885
US-20050096485-A1 Thyronamine derivatives and analogs and methods of use thereof TPO, TSHR, THRB PTGS1 592/4885SRD5A2 34/4885MEN1 179/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT PTGS1 944/4885SRD5A2 436/4885MEN1 379/4885

“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.