SCHEMBL14904030

SCHEMBL14904030

CCC[n+]1cc(-c2cc(OC)c(OC)c(-c3ccc(C(C)(C)C)cc3)c2)cc2cc(CO)c(CO)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.33
▸ PDE4B Q07343 5/20 0.33
▸ PDE4C Q08493 5/20 0.33
▸ PDE4D Q08499 5/20 0.33
▸ PDE5A O76074 4/20 0.33
▸ PDE1A P54750 4/20 0.33
▸ PDE1B Q01064 4/20 0.33
▸ PDE3B Q13370 4/20 0.33
▸ PDE1C Q14123 4/20 0.33
▸ PDE3A Q14432 4/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL12074251 0.90 TDO2 (0.34) HSP90AA1HSP90AB1TDO2TP53MAPT
SCHEMBL14904028 0.89 PDCD1 (0.36) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14904053 0.87 TDO2 (0.33) HSP90AA1HSP90AB1TDO2TP53MAPT
SCHEMBL14904029 0.86 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14904032 0.83 TGFBR1 (0.35) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL12074910 0.78 ACACA (0.37) MAPTMGAMGAASIMGAM2
SCHEMBL14904035 0.76 PDCD1 (0.37) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14904057 0.75 GAK (0.46) TDO2CHEK2FYN
SCHEMBL12074701 0.74 TDO2 (0.37) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL14904059 0.74 FYN (0.38) PDE4APDE4BPDE4CPDE4DPDE5A

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 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.

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