SCHEMBL9915908

SCHEMBL9915908

COC(=O)c1ccc(C)[n+](C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CA7 P43166 2/20 0.48
TSHR P16473 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
XDH P47989 1/20 0.44
STS P08842 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL2385010 0.79 TDP1 (0.52) TDP1CA1CA2CA12CA9
SCHEMBL14621779 0.78 MAPT (0.40) TDP1MAPTALDH1A1STSHPGD
SCHEMBL12849582 0.78 ALDH1A1 (0.48) TDP1CA1CA2CA12CA9
Iodide SCHEMBL23630250 0.76 ALDH1A1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL4381131 0.76 NNMT (0.50) TDP1CA1CA2CA12CA9
SCHEMBL28993944 0.73 CA1 (0.80) TDP1CA1CA2CA12CA9
SCHEMBL23600 0.73 CA1 (0.80) TDP1CA1CA2CA12CA9
Bromide SCHEMBL7927775 0.73 TDP1 (0.44) TDP1CA1CA2CA12CA9
SCHEMBL15804740 0.72 CA1 (0.47) TDP1CA1CA2CA12CA9
Water SCHEMBL22720573 0.71 CA1 (0.76) TDP1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709299-B2 Dye sensitised solar cell BASF SE (DE) 2014-04-29 US disclosed
US-20120145238-A1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2012-06-14 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 (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-20120145238-A1 DYE SENSITISED SOLAR CELL FTO, TET1, METTL14 TDP1 3027/4885CA1 1553/4885CA2 1325/4885

“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.