SCHEMBL6816962

SCHEMBL6816962

CC(C)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.69
NR4A1 P22736 1/20 0.68
NR4A2 P43354 1/20 0.68
NR4A3 Q92570 1/20 0.68
PARP10 Q53GL7 1/20 0.64
SRD5A2 P31213 1/20 0.62
PLA2G4B P0C869 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
LMNA P02545 2/20 0.57
EGFR P00533 2/20 0.57
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56

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
SCHEMBL103047 0.88 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL5078379 0.88 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL169289 0.88 MAOB (0.65) MAOBNR4A1NR4A2NR4A3PARP10
Hydrochloric Acid SCHEMBL9641061 0.86 MAOB (0.63) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL13110201 0.86 MAOB (0.63) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL22386732 0.86 SMN1; SMN2 (0.69) MAOBPARP10PLA2G4BALDH1A1HTT
SCHEMBL18417685 0.86 MAOB (0.51) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL10844954 0.85 NR4A1 (0.70) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL6803381 0.85 MAOB (0.61) MAOBNR4A1NR4A2NR4A3PARP10
SCHEMBL3395533 0.84 NR4A1 (0.68) MAOBNR4A1NR4A2NR4A3PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 US disclosed
CN-102316733-B Heterocyclic compounds and methods of use GENENTECH INC 2014-01-01 CN disclosed
US-7737287-B2 Anomeric derivatives of monosaccharides ALCHEMIA LIMITED (AU) 2010-06-15 US disclosed
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 US disclosed
EP-1159267-B1 N-SUBSTITUTED INDOLINES AS ESTROGENIC AGENTS WYETH CORP (US) 2004-06-09 EP disclosed
US-6358943-B1 TREATMENT OF OSTEOPOROSIS, BENIGN PROSTATIC HYPERPLASIA, BREAST AND/OR ENDOMETRIAL CANCER AMERICAN HOME PRODUCTS CORPORATION 2002-03-19 US disclosed
EP-1159267-A1 N-SUBSTITUTED INDOLINES AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-05 EP disclosed
WO-2000051982-A1 N-SUBSTITUTED INDOLINES AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 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 (3 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-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE CYP19A1, CYP17A1, SHBG MAOB 85/4885NR4A1 661/4885NR4A2 924/4885
US-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS MAOB 3041/4885NR4A1 3210/4885NR4A2 4212/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS MAOB 3041/4885NR4A1 3210/4885NR4A2 4212/4885

“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.