SCHEMBL4227079

SCHEMBL4227079

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Cu]I)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.32
CRHR1 P34998 5/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL4219437 0.79 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL4222761 0.79 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL4221217 0.76 ALDH1A1 (0.33) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL5790127 0.74 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL16834246 0.74 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTPOLBHTT
Hydrochloric Acid SCHEMBL2796754 0.72 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTPOLBHTT
Hydrochloric Acid SCHEMBL2796752 0.72 ALDH1A1 (0.36) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL29713642 0.69 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL1662433 0.69 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTPOLBHTT
SCHEMBL2796756 0.69 ALDH1A1 (0.34) ALDH1A1NPSR1MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 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-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 ALDH1A1 540/4885NPSR1 1518/4885MAPT 4537/4885

“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.