SCHEMBL421017

SCHEMBL421017

COc1cc2cccc(N(C=O)OC(C)(C)C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TNF P01375 2/20 0.33
NQO1 P15559 1/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
KRAS P01116 1/20 0.32
SOS1 Q07889 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9383041 0.70 KDM4E (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL7429745 0.68 NFE2L2 (0.36)
SCHEMBL2831679 0.67 CHEK1 (0.31) ALDH1A1HSD17B10SMN1; SMN2TDP1
SCHEMBL6856498 0.67 LMNA (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1534432 0.65 ENPP2 (0.34)
SCHEMBL5745023 0.65 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL10163672 0.64 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28118488 0.64 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL11627750 0.63 TRPV4 (0.47) MTNR1BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10382826 0.62 MEN1 (0.35) ALDH1A1HSD17B10NPSR1SMN1; SMN2MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
EP-2387564-A1 BENZO ÝC¨PHENANTHRIDINES AS ANTIMICROBIAL AGENTS Rutgers, The State University of New Jersey (US) 2011-11-23 EP disclosed
US-8037884-B2 Modular system for patient positioning during medical procedures ALLEN MEDICAL SYSTEMS, INC. (US) 2011-10-18 US disclosed
WO-2010083436-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-07-22 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-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH MTNR1B 4401/4885ALDH1A1 3095/4885KDM4E 536/4885

“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.