SCHEMBL12837985

SCHEMBL12837985

COC(=O)c1cc(Br)nc(-c2cc(C(=O)OC)cc(Br)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 1/20 0.58
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
XDH P47989 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FUT7 Q11130 1/20 0.47
NOTUM Q6P988 2/20 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
SCHEMBL583270 0.90 KDM4E (0.64) KDM4EALDH1A1CA12CA1CA2
SCHEMBL16107675 0.87 KDM4E (0.66) KDM4EALDH1A1L3MBTL1KDM6BKDM5C
SCHEMBL16139830 0.84 KDM4E (0.54) KDM4EALDH1A1TDP1L3MBTL1POLB
SCHEMBL568182 0.83 KDM4E (0.56) KDM4EALDH1A1CA12CA1CA2
SCHEMBL30014968 0.83 KDM4E (0.56) KDM4EALDH1A1CA12CA1CA2
SCHEMBL583987 0.83 ALDH1A1 (0.79) KDM4EALDH1A1CA12CA1CA2
SCHEMBL19207313 0.83 NPC1 (0.51) KDM4EALDH1A1L3MBTL1ATMMMP2
SCHEMBL28468584 0.83 MAPT (0.55) KDM4EALDH1A1L3MBTL1LMNANFKB1
SCHEMBL9069965 0.82 KDM4E (0.44) KDM4EALDH1A1CA12CA1CA2
SCHEMBL20488880 0.81 KDM4E (0.55) KDM4EALDH1A1CA12CA1CA2

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
EP-2483265-B9 NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2018-04-25 EP disclosed
US-9359334-B2 Ligands for sensitizing dyes of dye-sensitized solar cells ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-06-07 US disclosed
US-20120253043-A1 NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2012-10-04 US disclosed
EP-2301932-A1 Novel ligands for sensitizing dyes of dye-sensitized solar cells Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2011-03-30 EP 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-20120253043-A1 NOVEL LIGANDS FOR SENSITIZING DYES OF DYE-SENSITIZED SOLAR CELLS CRY1, TRPV5, TRPA1 KDM4E 3338/4885ALDH1A1 566/4885CA12 3261/4885

“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.