SCHEMBL128820

SCHEMBL128820

COc1c(CO)ccc2cc3c4c(Cc5ccc(-c6ccccc6)cc5)cc5c(c4cc[n+]3cc12)OCO5

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 3/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
BAD Q92934 3/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 3/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
BCHE P06276 2/20 0.32
PREP P48147 2/20 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
SCHEMBL128658 0.86 TARBP2 (0.37) TARBP2PTGS1PTGS2CYP3A4MAPT
SCHEMBL128821 0.81 CYP3A4 (0.39) TARBP2CYP3A4MAPTACHEBCHE
SCHEMBL129768 0.77 PTGS1 (0.44) PTGS1PTGS2CYP3A4MAPTACHE
SCHEMBL129785 0.77 ACHE (0.43) CYP3A4MAPTACHEBCHEPREP
SCHEMBL127656 0.74 ACHE (0.38) BADCYP3A4MAPTACHEBCHE
SCHEMBL128826 0.74 BAD (0.36) TARBP2BADCYP3A4MAPTACHE
SCHEMBL129789 0.68 CYP1B1 (0.47) CYP3A4MAPTACHEBCHEPREP
SCHEMBL129791 0.67 ACHE (0.41) CYP3A4MAPTACHEBCHEPREP
SCHEMBL128827 0.67 CYP1B1 (0.40) PTGS1PTGS2CYP3A4MAPTACHE
SCHEMBL16189647 0.66 BCHE (0.52) BADCYP3A4MAPTACHEBCHE

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 3402/4885PTGS1 2524/4885PTGS2 2553/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L TARBP2 3466/4885PTGS1 2892/4885PTGS2 2604/4885

“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.