SCHEMBL2925262

SCHEMBL2925262

OCCc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX5 P09917 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
BACE1 P56817 1/20 0.43
CA2 P00918 3/20 0.42
PTPN1 P18031 2/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TTR P02766 2/20 0.39
MEN1 O00255 1/20 0.39
ALB P02768 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7873997 0.87 CYP3A4 (0.55) TDP1CYP3A4TSHRALDH1A1CA2
SCHEMBL2921636 0.86 TNKS2 (0.48) TDP1CYP3A4TSHRALDH1A1CA2
SCHEMBL2420912 0.82 CYP3A4 (0.50) TDP1CYP3A4TSHRALDH1A1CA2
SCHEMBL719722 0.79 TSHR (0.52) TDP1CYP3A4TSHRALDH1A1KDM4E
SCHEMBL4732047 0.78 GAA (0.46) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL4734190 0.78 TDP1 (0.37) TDP1ALDH1A1KDM4EALOX5GAA
SCHEMBL11807477 0.78 TDP1 (0.46) TDP1CYP3A4TSHRALDH1A1KDM4E
SCHEMBL542182 0.78 CYP3A4 (0.46) TDP1CYP3A4TSHRALDH1A1CA2
SCHEMBL18986915 0.78 CYP3A4 (0.46) TDP1CYP3A4TSHRALDH1A1CA2
Bromide SCHEMBL28429836 0.76 TDP1 (0.44) TDP1CYP3A4TSHRALDH1A1KDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 EP disclosed
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 EP disclosed
US-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
EP-1919878-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. Hoffmann-Roche AG (CH) 2008-05-14 EP disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
WO-2007009913-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
WO-2007009913-A1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 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 (3 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 TDP1 1464/4885CYP3A4 1115/4885TSHR 2624/4885
US-20090005383-A1 THYROID HORMONE ANALOGS THRA, THRB, TPO TDP1 1115/4885CYP3A4 401/4885TSHR 4/4885
US-20070032494-A1 Thyroid hormone analogs THRA, THRB, TPO TDP1 1115/4885CYP3A4 401/4885TSHR 4/4885

“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.