SCHEMBL14904013

SCHEMBL14904013

COc1cc(-c2c[n+](C)c3cc(CO)c(CO)cc3c2-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MGAM O43451 4/20 0.37
GAA P10253 4/20 0.37
SI P14410 4/20 0.37
MGAM2 Q2M2H8 4/20 0.37
FYN P06241 2/20 0.36
PDE4B Q07343 5/20 0.36
PDE4A P27815 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
PDE5A O76074 2/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE1C Q14123 2/20 0.36
PDE3A Q14432 2/20 0.36
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL16994466 0.88 FYN (0.40) PTPN1MGAMGAASIMGAM2
SCHEMBL14903977 0.86 ACACA (0.44) PDCD1CD274PDE4BPDE4APDE4C
SCHEMBL14904012 0.82 FYN (0.43) PTPN1PDCD1CD274MGAMGAA
SCHEMBL14903984 0.81 FYN (0.38) PTPN1PDCD1CD274MGAMGAA
SCHEMBL14904027 0.78 PDCD1 (0.39) PDCD1CD274MGAMGAASI
SCHEMBL14904005 0.76 PDCD1 (0.39) PDCD1CD274FYNPDE4BPDE4A
SCHEMBL14904004 0.76 FYN (0.43) PTPN1PDCD1CD274FYNBMPR1A
SCHEMBL14904010 0.73 FYN (0.40) PTPN1PDCD1CD274FYNBMPR1A
SCHEMBL14904016 0.72 FYN (0.42) FYN
SCHEMBL14904332 0.71 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DPDE5A

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 PTPN1 1221/4885PDCD1 4650/4885CD274 4594/4885

“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.