SCHEMBL6434079

SCHEMBL6434079

CC1(C)OC[C@H](COc2cccc(Br)n2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
CA2 P00918 1/20 0.40
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 9/20 0.36

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
SCHEMBL6437207 1.00 HTR7 (0.43) HTR7CA2KCNJ5KCNJ3ALDH1A1
SCHEMBL7564361 0.87 DRD4 (0.47) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL1817280 0.84 CA2 (0.43) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL30918574 0.84 CA2 (0.43) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL9981632 0.84 CA2 (0.43) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL1817279 0.84 CA2 (0.43) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL1854159 0.84 DRD4 (0.48) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL20356443 0.82 KCNJ5 (0.43) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL20356662 0.82 KCNJ5 (0.43) CA2KCNJ5KCNJ3ALDH1A1KDM4E
SCHEMBL20356767 0.82 KCNJ5 (0.43) CA2KCNJ5KCNJ3ALDH1A1KDM4E

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
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP disclosed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 US disclosed
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HTR7 3967/4885CA2 3285/4885KCNJ5 4847/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 HTR7 3967/4885CA2 3285/4885KCNJ5 4847/4885

“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.