SCHEMBL14904019

SCHEMBL14904019

COc1c(-c2ccc(-c3ccccc3)cc2)cc2c(ccc3nc4cc(CO)c(CO)cc4cc32)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ACACA Q13085 2/20 0.38
DHODH Q02127 3/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
BACE1 P56817 1/20 0.34
IKBKB O14920 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 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
SCHEMBL14906875 0.85 PDGFRB (0.48) POLBACACAAURKAAURKBGAA
SCHEMBL14904023 0.82 ALDH1A1 (0.36) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL14903992 0.79 ACHE (0.36) ACACAPDE4APDE4BPDE4CPDE4D
SCHEMBL14904020 0.79 PDE4A (0.37) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL14904018 0.73 CETP (0.33) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL128952 0.72 KDM4E (0.40) ACACAPDE4APDE4BPDE4CPDE4D
SCHEMBL14904054 0.71 PDGFRB (0.55)
SCHEMBL128801 0.70 PDE10A (0.37) PDE4APDE4BPDE4CPDE4DIKBKB
SCHEMBL14903983 0.68 PDGFRB (0.54)
SCHEMBL14903927 0.68 KDM4E (0.38) PDE4APDE4BPDE4CPDE4DBACE1

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 POLB 2524/4885ACACA 4646/4885DHODH 2346/4885

“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.