SCHEMBL6858865

SCHEMBL6858865

CC(C)(C)c1ccc[c]c1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL27649844 0.83 PGR (0.34) CA2ALDH1A1TSHRTDP1
SCHEMBL6220544 0.77 POLB (0.38) CA2ALDH1A1TSHRTDP1GRIN2D
SCHEMBL23004 0.74 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL125906 0.74 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL2723894 0.74 CA2 (0.37) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL4634623 0.74 CA2 (0.37) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL4057050 0.73 CA2 (0.50) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL10927467 0.73 CA2 (0.39) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL24092 0.73 CA2 (0.39) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL22639 0.73 CA2 (0.39) CA2ALDH1A1TSHRTDP1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110963-B1 Chlorin- and bacteriochlorin-aminophenylDTPA conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH INC (US) 2004-04-21 EP claimed
US-6534040-B2 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH, INC. 2003-03-18 US claimed
US-20010046983-A1 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH, INC. 2001-11-29 US claimed
EP-1110963-A2 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH, INC. (US) 2001-06-27 EP claimed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 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 (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-20010046983-A1 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals C1S, IWS1, CTPS2 CA2 286/4885ALDH1A1 4844/4885TSHR 113/4885

“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.