SCHEMBL4625499

SCHEMBL4625499

O=C(O)COc1ccc(Br)cc1Cc1cc(Br)ccc1OCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.79
TDP1 Q9NUW8 2/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 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
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.51
ELANE P08246 3/20 0.49
F2 P00734 1/20 0.49

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
SCHEMBL5699506 0.88 PTGDR2 (0.77) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL3201339 0.88 PTGDR2 (1.00) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL6858506 0.87 PTGDR2 (0.74) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL4201869 0.83 PTGDR2 (0.68) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL1615073 0.82 PKM (0.70) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL3044855 0.81 PTGDR2 (0.79) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL3198632 0.79 PTGDR2 (0.67) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL4626659 0.79 PKM (0.66) PTGDR2TDP1POLBTSHRL3MBTL1
SCHEMBL3203787 0.79 TDP1 (0.70) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL3203774 0.79 PTGDR2 (0.64) PTGDR2TDP1POLBTSHRCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US claimed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP claimed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 WO claimed
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US disclosed
US-7348112-B2 Polymeric charge transport materials having repeating units comprising an aromatic group and a —S— linkage SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-25 US disclosed
EP-1591834-B1 Azine-based charge transport materials SAMSUNG ELECTRONICS CO LTD (KR) 2008-02-20 EP disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP disclosed
US-7320848-B2 Poly(azine)-based charge transport materials SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-22 US disclosed
US-7261988-B2 Azine-based charge transport materials SAMSUNG ELECTRONICS CO. LTD (KR) 2007-08-28 US disclosed
EP-1591835-B1 Azine-based charge transport materials having two reactive rings SAMSUNG ELECTRONICS CO LTD (KR) 2007-01-17 EP disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 WO disclosed
US-20060003241-A1 Polymeric charge transport materials having repeating units comprising an aromatic group and a -S- linkage S-PRINTING SOLUTION CO., LTD. (KR) 2006-01-05 US disclosed
EP-1591834-A2 Azine-based charge transport materials Samsung Electronics Co., Ltd. (KR) 2005-11-02 EP disclosed
EP-1591835-A2 Azine-based charge transport materials having two reactive rings Samsung Electronics Co., Ltd. (KR) 2005-11-02 EP disclosed
US-20050238978-A1 Azine-based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2005-10-27 US disclosed
US-20050221211-A1 Poly(azine)-based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2005-10-06 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 (2 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 PTGDR2 49/4885TDP1 4717/4885POLB 2635/4885
US-20050238978-A1 Azine-based charge transport materials SLC18A2, SLC1A2, SLC6A19 PTGDR2 2159/4885TDP1 3546/4885POLB 4088/4885

“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.