SCHEMBL128658

SCHEMBL128658

COc1c(CO)ccc2cc3c4c(C(=O)c5ccc(-c6ccccc6)cc5)cc5c(c4cc[n+]3cc12)OCO5

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 4/20 0.37
MAPT P10636 5/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CDK2 P24941 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL128820 0.86 TARBP2 (0.35) TARBP2MAPTCYP3A4EDNRBEDNRA
SCHEMBL128821 0.79 CYP3A4 (0.39) TARBP2MAPTMEN1ALDH1A1KMT2A
SCHEMBL128827 0.78 CYP1B1 (0.40) MAPTMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL129791 0.78 ACHE (0.41) MAPTMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL127656 0.72 ACHE (0.38) MAPTMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL198012 0.68 BCHE (0.49) MAPTMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL128826 0.67 BAD (0.36) TARBP2MAPTMEN1ALDH1A1KMT2A
SCHEMBL129785 0.67 ACHE (0.43) MAPTMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL129768 0.67 PTGS1 (0.44) MAPTMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL129789 0.66 CYP1B1 (0.47) MAPTMEN1ALDH1A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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 (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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TARBP2 3402/4885MAPT 4740/4885MEN1 623/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TARBP2 3466/4885MAPT 4773/4885MEN1 580/4885

“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.