SCHEMBL18015403

SCHEMBL18015403

OCc1cc(B(O)O)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.47
ENPP2 Q13822 6/20 0.44
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TSHR P16473 1/20 0.33
F11 P03951 1/20 0.33

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
SCHEMBL31035574 0.84 TTR (0.44) TTRENPP2CA1CA2LPL
SCHEMBL17236432 0.83 TTR (0.52) TTRENPP2CA1CA2LPL
SCHEMBL29953894 0.82 LPL (0.47) TTRENPP2CA1CA2LPL
SCHEMBL2413286 0.82 LPL (0.47) TTRENPP2CA1CA2LPL
SCHEMBL3780619 0.80 ENPP2 (0.48) TTRENPP2CA1CA2LPL
SCHEMBL16702930 0.77 TTR (0.42) TTRENPP2CA2
SCHEMBL16576629 0.77 TTR (0.42) TTRENPP2CA1CA2LPL
SCHEMBL21501435 0.77 ENPP2 (0.46) TTRENPP2CA1CA2LPL
SCHEMBL16898955 0.77 KLF10 (0.47) ENPP2CA1CA2TSHR
SCHEMBL24012619 0.75 ENPP2 (0.44) TTRENPP2CA1CA2LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC TTR 3132/4885ENPP2 1210/4885CA1 2631/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 TTR 1533/4885ENPP2 2657/4885CA1 3011/4885

“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.