SCHEMBL1647247

SCHEMBL1647247

CCCN(CCC)C(=O)Cc1cc(O)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1645151 0.81 ALDH1A1 (0.47) POLBTDP1CA12CA1CA2
SCHEMBL5164349 0.81 POLB (0.45) POLBAPEX1TDP1ALDH1A1HTT
SCHEMBL39010 0.77 CA12 (0.57) POLBTDP1CA12CA1CA2
SCHEMBL28126806 0.77 CA12 (0.57) POLBTDP1CA12CA1CA2
SCHEMBL9745 0.76 PTPN1 (0.54) TDP1CA12CA1CA2CA7
SCHEMBL11276801 0.76 EGFR (0.54) CA12CA1CA2CA7CA9
SCHEMBL3873135 0.76 CA12 (0.55) POLBTDP1CA12CA1CA2
SCHEMBL21464343 0.76 CA2 (0.55) POLBAPEX1TDP1CA12CA1
SCHEMBL27658957 0.76 CA12 (0.55) POLBTDP1CA12CA1CA2
SCHEMBL27517848 0.76 CA12 (0.55) POLBTDP1CA12CA1CA2

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-20120208882-A1 Organic Compounds DANAHAY HENRY LUKE (GB) 2012-08-16 US disclosed
EP-2305639-A2 Organic compounds Novartis AG (CH) 2011-04-06 EP disclosed
EP-2253612-A1 Organic compounds Novartis AG (CH) 2010-11-24 EP disclosed
US-20090203777-A1 ORGANIC COMPOUNDS MAAS, JANET CATHERINE (GB) 2009-08-13 US disclosed
EP-1874726-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108643-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-10-19 WO disclosed
US-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 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-20120208882-A1 Organic Compounds CFTR, OTC, ASIC1 POLB 2250/4885APEX1 3909/4885TDP1 4499/4885
US-20090203777-A1 ORGANIC COMPOUNDS CFTR, OTC, ASIC1 POLB 2250/4885APEX1 3909/4885TDP1 4499/4885

“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.