SCHEMBL14904334

SCHEMBL14904334

COc1cc(-c2cc3cc(CO)c(CO)cc3[n+]3c2N(C)CC3)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.34
▸ KDR P35968 5/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ PDE4A P27815 4/20 0.32
▸ PDE4B Q07343 4/20 0.32
▸ PDE4C Q08493 4/20 0.32
▸ PDE4D Q08499 4/20 0.32
▸ PDE5A O76074 3/20 0.32
▸ PDE3B Q13370 3/20 0.32
▸ PDE3A Q14432 3/20 0.32
▸ PDE1A P54750 2/20 0.32
▸ PDE1B Q01064 2/20 0.32
▸ PDE1C Q14123 2/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 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
SCHEMBL14926995 0.84 PDE5A (0.35) FYNKDRFLT3GSK3BPDE4A
SCHEMBL14903985 0.83 MTNR1A (0.33) PDE4APDE4BPDE4CPDE4DDRD2
SCHEMBL14903984 0.78 FYN (0.38) FYNKDRFLT3GSK3BPDE4A
SCHEMBL14904027 0.75 PDCD1 (0.39) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL14903987 0.74 KDM4E (0.40) ALDH1A1HTTKMT2AL3MBTL1RAB9A
SCHEMBL16510622 0.74 CTDSP1 (0.37) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL14927042 0.72 FYN (0.35) FYNALDH1A1HTTIKBKBMEN1
SCHEMBL14904028 0.72 PDCD1 (0.36) FYNPDE4APDE4BPDE4CPDE4D
SCHEMBL14903983 0.71 PDGFRB (0.54) FYN
SCHEMBL14904013 0.70 PTPN1 (0.39) FYNPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FYN 4551/4885KDR 4655/4885FLT3 848/4885

“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.

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