SCHEMBL14903979

SCHEMBL14903979

COc1cc(Cc2ccccc2)c(-c2cc3cc(CO)c(CO)cc3[n+](C)c2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ CYP11B1 P15538 5/20 0.40
▸ CYP11B2 P19099 5/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ CTSG P08311 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL14906990 0.90 MTNR1A (0.42) MTNR1AMTNR1BCYP11B1CYP11B2PDE4A
SCHEMBL14903974 0.78 PDE4A (0.37) MTNR1AMTNR1BCYP11B1CYP11B2PDE4A
SCHEMBL14904027 0.77 PDCD1 (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL14903982 0.77 PDGFRB (0.53) MTNR1AMTNR1BCYP11B1CYP11B2
SCHEMBL14903984 0.77 FYN (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL14904333 0.77 PDCD1 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL14903957 0.76 RAB9A (0.38) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL14926990 0.72 PDE4A (0.38) MTNR1AMTNR1BCYP11B1CYP11B2PDE4A
SCHEMBL14903977 0.70 ACACA (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL14903985 0.69 MTNR1A (0.33) MTNR1AMTNR1BCYP11B1CYP11B2PDE4A

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 MTNR1A 1533/4885MTNR1B 2157/4885CYP11B1 4026/4885

“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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