SCHEMBL13886597

SCHEMBL13886597

NCCc1ccc(Oc2ccc(O)c(I)c2)c(I)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.74
TAAR5 O14804 1/20 0.74
MAPK1 P28482 4/20 0.49
TSHR P16473 2/20 0.49
HIF1A Q16665 3/20 0.48
POLB P06746 2/20 0.48
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
PCNA P12004 2/20 0.48
LMNA P02545 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
NFKB1 P19838 1/20 0.48
GLA P06280 1/20 0.48
ADRA2A P08913 3/20 0.47
HTR1A P08908 2/20 0.47
ADRA1A P35348 2/20 0.47
HSD17B10 Q99714 2/20 0.47
APEX1 P27695 2/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL29374539 0.85 TAAR1 (1.00) TAAR1TAAR5MAPK1TSHRHIF1A
SCHEMBL359453 0.85 TAAR1 (1.00) TAAR1TAAR5MAPK1TSHRHIF1A
SCHEMBL13886593 0.85 TAAR1 (0.74) TAAR1TAAR5MAPK1TSHRLMNA
SCHEMBL13886595 0.85 TAAR1 (0.56) TAAR1TAAR5MAPK1TSHRHIF1A
SCHEMBL4616776 0.83 TAAR1 (0.67) TAAR1TAAR5MAPK1TSHRHIF1A
SCHEMBL12921186 0.82 THRB (0.68) TAAR1TAAR5MAPK1TSHRHIF1A
SCHEMBL14230044 0.82 TAAR5 (0.51) TAAR1TAAR5MAPK1TSHRHIF1A
Hydrochloric Acid SCHEMBL5318190 0.81 MAPK1 (0.68) TAAR1TAAR5MAPK1TSHRHIF1A
SCHEMBL25773002 0.80 MEN1 (0.57) TAAR1TAAR5TSHRHIF1APOLB
SCHEMBL25772997 0.79 TAAR1 (0.74) TAAR1TAAR5TSHRLMNACYP1A2

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 7 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TAAR1 198/4885TAAR5 30/4885MAPK1 4425/4885

“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.