SCHEMBL14904332

SCHEMBL14904332

COc1ccc(-c2cc3c(-c4ccccc4)c(CO)c(CO)cc3[n+](C)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.54
PDE4B Q07343 11/20 0.54
PDE4C Q08493 11/20 0.54
PDE4D Q08499 11/20 0.54
PDE3B Q13370 11/20 0.54
PDE3A Q14432 11/20 0.54
PDE5A O76074 10/20 0.54
PDE1A P54750 9/20 0.54
PDE1B Q01064 9/20 0.54
PDE1C Q14123 9/20 0.54
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ACACA Q13085 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL14903977 0.83 ACACA (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14903975 0.80 PDE5A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14903964 0.79 PDE5A (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14926983 0.74 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14903968 0.72 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14904013 0.71 PTPN1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14904027 0.70 PDCD1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14926985 0.70 PDE5A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL129668 0.70 PDE3B (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14903963 0.69 PDE5A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B

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 PDE4A 1953/4885PDE4B 2010/4885PDE4C 1682/4885

“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.