SCHEMBL1369720

SCHEMBL1369720

O=C(O)COc1ccc(Br)cc1I

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.64
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 2/20 0.57
POLB P06746 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTGDR Q13258 1/20 0.55
PKM P14618 1/20 0.53
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.46
WDR5 P61964 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
SCHEMBL9905095 0.83 PKM (0.50) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL1615073 0.82 PKM (0.70) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL5833932 0.82 TDP1 (0.50) PTGDR2TDP1TSHRPOLBL3MBTL1
SCHEMBL3044855 0.81 PTGDR2 (0.79) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL3203774 0.79 PTGDR2 (0.64) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL3203787 0.79 TDP1 (0.70) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL1332580 0.79 TDP1 (0.70) PTGDR2TDP1TSHRPTGDR
SCHEMBL1028925 0.79 PTGDR2 (0.60) PTGDR2TDP1TSHRPOLBL3MBTL1
SCHEMBL3198632 0.79 PTGDR2 (0.67) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL4625499 0.79 PTGDR2 (0.79) PTGDR2TDP1TSHRPOLBCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 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 (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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PTGDR2 51/4885TDP1 4632/4885TSHR 3579/4885

“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.