SCHEMBL10126488

SCHEMBL10126488

Cc1ccc2c(c1)C(c1ccc(NCCCBr)cc1)c1cc(C)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLK1 P53350 3/20 0.31
PRSS1 P07477 2/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL10126526 0.84 MAPT (0.30) MAPT
SCHEMBL19634902 0.77 MAPT (0.67) MAPTHTTALDH1A1MEN1MAPK1
SCHEMBL10126484 0.73 BCHE (0.44) CYP1A2
SCHEMBL10126625 0.72 MAPT (0.43) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL11939297 0.72 MAPT (0.40) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL10126523 0.68 MAPT (0.53) MAPTHTTALDH1A1MEN1MAPK1
SCHEMBL10111160 0.66 ALDH1A1 (0.48) MAPTCYP3A4ALDH1A1MEN1MAPK1
SCHEMBL10126879 0.66 THRB (0.52) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL10416186 0.66 ALDH1A1 (0.53) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL7398270 0.66 MAPT (0.73) MAPTHTTCYP1A2CYP3A4CYP2D6

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-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
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 MAPT 297/4885HTT 3725/4885CYP1A2 2849/4885

“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.