SCHEMBL10126537

SCHEMBL10126537

Cc1ccc2c(c1)C(CCCCCCNCCCBr)(CCCCCCNCCCBr)c1cc(C)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 3/20 0.31
DRD4 P21917 3/20 0.31
DRD3 P35462 3/20 0.31
PDK2 Q15119 1/20 0.31
TP53 P04637 1/20 0.30
ALOX15 P16050 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
SCHEMBL16204111 0.88 PDK2 (0.35) PDK2
SCHEMBL16625772 0.88 PDK2 (0.35) PDK2
SCHEMBL17830930 0.81 PDK2 (0.31) ALDH1A1PDK2
SCHEMBL12402041 0.80 PDK2 (0.39) PDK2
SCHEMBL10111204 0.79 CYP2D6 (0.38) CHRM2ALDH1A1PDK2
SCHEMBL16625746 0.78 ALDH1A1 (0.39) MEN1ALDH1A1KMT2APDK2ALOX15
SCHEMBL18101998 0.78 ALDH1A1 (0.39) MEN1ALDH1A1KMT2APDK2ALOX15
SCHEMBL8740559 0.78 CNR1 (0.39) PDK2TP53
SCHEMBL17147240 0.77 DNM2 (0.34) ALDH1A1TP53
SCHEMBL12402033 0.77 PDK2 (0.43) PDK2

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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 CHRM2 3504/4885MEN1 8/4885ALDH1A1 932/4885

“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.