SCHEMBL800895

SCHEMBL800895

COc1cccc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44
CTSA P10619 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL26740525 0.89 CYP1A2 (0.50) ALDH1A1KMT2ATDP1PKMCYP1A2
SCHEMBL30636840 0.87 PKM (0.46) ALDH1A1KMT2APKMCYP1A2MEN1
SCHEMBL22959443 0.87 PKM (0.46) ALDH1A1KMT2APKMCYP1A2MEN1
SCHEMBL30636841 0.87 PKM (0.46) ALDH1A1KMT2APKMCYP1A2MEN1
SCHEMBL289601 0.87 TDP1 (0.51) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL22946291 0.86 TDP1 (0.61) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL23182815 0.82 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL21588491 0.82 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL17485944 0.82 CYP1A2 (0.56) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL1244820 0.81 TDP1 (0.57) ALDH1A1KMT2ATDP1SLC6A2SLC6A3

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 ALDH1A1 2041/4885KMT2A 1663/4885TDP1 103/4885

“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.