SCHEMBL14906990

SCHEMBL14906990

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ CYP11B1 P15538 4/20 0.39
▸ CYP11B2 P19099 4/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL14903979 0.90 MTNR1A (0.43) MTNR1AMTNR1BCYP11B1CYP11B2PDE4A
SCHEMBL12075017 0.74 PDGFRB (0.67) PDGFRBPDGFRA
SCHEMBL12074908 0.72 ACACA (0.41) PDGFRBPDGFRA
SCHEMBL16510678 0.68 PDE10A (0.37) ACHEPDE10APDE3BPDE3A
SCHEMBL14903982 0.68 PDGFRB (0.53) MTNR1AMTNR1BCYP11B1CYP11B2PDGFRB
SCHEMBL14903974 0.67 PDE4A (0.37) MTNR1AMTNR1BCYP11B1CYP11B2PDE4A
SCHEMBL12185684 0.66 LTA4H (0.50) PDE10AGPR55
SCHEMBL14904027 0.66 PDCD1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27741326 0.65 PDE4A (0.48) MTNR1AMTNR1BCYP11B1CYP11B2PDE4A
SCHEMBL12074762 0.65 PDE10A (0.43) CYP11B1CYP11B2PDGFRBPDGFRAACHE

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 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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