SCHEMBL12074762

SCHEMBL12074762

COc1cc(Cc2ccccc2)c(-c2cc3cc(OC)c(OC)cc3nc2N(C)C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.43
▸ PDGFRB P09619 4/20 0.43
▸ PDGFRA P16234 4/20 0.43
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 2/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL14903970 0.90 PDE10A (0.40) PDE10APDE3BPDE3AKDM4EGLA
SCHEMBL16994470 0.80 PDGFRB (0.40) PDE10APDGFRBPDGFRAGLAALDH1A1
SCHEMBL12074882 0.79 PDGFRB (0.52) PDE10APDGFRBPDGFRAKDM4EGLA
SCHEMBL12072675 0.78 PDE10A (0.43) PDE10APDE3BPDE3AKDM4EGLA
SCHEMBL12074884 0.77 PDGFRB (0.45) PDGFRBPDGFRAKDM4EGLAALDH1A1
SCHEMBL12075017 0.76 PDGFRB (0.67) PDGFRBPDGFRAGLAALDH1A1GAA
SCHEMBL14926987 0.72 USP2 (0.40) PDE10APDE3BPDE3AALDH1A1CYP11B1
SCHEMBL16510678 0.70 PDE10A (0.37) PDE10APDE3BPDE3AACHE
SCHEMBL14903974 0.68 PDE4A (0.37) CYP11B1CYP11B2ACHE
SCHEMBL27741326 0.67 PDE4A (0.48) PDGFRBPDE3BPDE3AKDM4EGLA

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 3 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
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — WO 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 PDE10A 2938/4885PDGFRB 4726/4885PDGFRA 4382/4885

“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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