SCHEMBL14904032

SCHEMBL14904032

CCC[n+]1cc(-c2cc(OC)c(OC)c(-c3ccc(C4CCCCC4)cc3)c2)cc2cc(CO)c(CO)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.35
▸ ACVR1 Q04771 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ PDE5A O76074 2/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ PDE3B Q13370 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ PDE3A Q14432 2/20 0.31
▸ PDCD1 Q15116 2/20 0.30
▸ CD274 Q9NZQ7 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ APP P05067 1/20 0.30

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
SCHEMBL12074904 0.91 TGFBR1 (0.37) TGFBR1ACVR1KCNH2S1PR1CYP3A4
SCHEMBL14904031 0.88 TGFBR1 (0.37) TGFBR1ACVR1KCNH2S1PR1PDE5A
SCHEMBL14904028 0.85 PDCD1 (0.36) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL14904030 0.83 PDE4A (0.33) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL14904061 0.78 PDGFRB (0.44) TGFBR1ACVR1KCNH2S1PR1
SCHEMBL12074091 0.77 TGFBR1 (0.39) TGFBR1ACVR1KCNH2S1PR1CYP3A4
SCHEMBL12074910 0.75 ACACA (0.37) —
SCHEMBL12074251 0.73 TDO2 (0.34) —
SCHEMBL14904027 0.71 PDCD1 (0.39) PDE5APDE4APDE1APDE1BPDE4B
SCHEMBL14904059 0.71 FYN (0.38) PDE5APDE4APDE1APDE1BPDE4B

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 TGFBR1 2944/4885ACVR1 4534/4885KCNH2 1851/4885

“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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