SCHEMBL14904034

SCHEMBL14904034

COc1cc(-c2cc3ccc(CO)c(OC)c3[n+](C)c2)cc(-c2cccc(C(C)(C)C)c2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 4/20 0.39
▸ CD274 Q9NZQ7 4/20 0.39
▸ FYN P06241 2/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PDE5A O76074 3/20 0.32
▸ PDE4A P27815 3/20 0.32
▸ PDE1A P54750 3/20 0.32
▸ PDE1B Q01064 3/20 0.32
▸ PDE4B Q07343 3/20 0.32
▸ PDE4C Q08493 3/20 0.32
▸ PDE4D Q08499 3/20 0.32
▸ PDE3B Q13370 3/20 0.32
▸ PDE1C Q14123 3/20 0.32
▸ PDE3A Q14432 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL14904035 0.91 PDCD1 (0.37) PDCD1CD274FYNPDE5APDE4A
SCHEMBL12075023 0.88 FYN (0.36) FYNPTPN5KDM4EALDH1A1GAA
SCHEMBL14904068 0.80 FYN (0.43) PDCD1CD274FYN
SCHEMBL12074707 0.79 TDO2 (0.43) FYNKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14904029 0.76 PDE4A (0.36) PDCD1CD274FYNPDE5APDE4A
SCHEMBL14904027 0.71 PDCD1 (0.39) PDCD1CD274FYNPDE5APDE4A
SCHEMBL12074099 0.71 TDO2 (0.36) FYNSMN1; SMN2MAPK14
SCHEMBL14903984 0.71 FYN (0.38) PDCD1CD274FYNPDE5APDE4A
SCHEMBL14904005 0.70 PDCD1 (0.39) PDCD1CD274FYNPDE5APDE4A
SCHEMBL14904069 0.70 FYN (0.43) PDCD1CD274FYN

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 PDCD1 4650/4885CD274 4594/4885FYN 4551/4885

“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.

Send feedback