SCHEMBL77829

SCHEMBL77829

CNC(=O)Oc1ccccc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
GAA P10253 2/20 0.56
PGR P06401 1/20 0.56
PTGS1 P23219 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ACHE P22303 1/20 0.56
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KDM4E B2RXH2 2/20 0.51
BCHE P06276 1/20 0.49
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44

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
Bromide SCHEMBL6851419 0.98 ALDH1A1 (0.54) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL2085785 0.83 ALDH1A1 (0.50) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL4066419 0.81 ALDH1A1 (0.48) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL3961756 0.81 ALDH1A1 (0.48) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL47807 0.81 TDP1 (0.62) ALDH1A1GAAMAPK1HSD17B10ATM
SCHEMBL30134334 0.81 TDP1 (0.62) ALDH1A1GAAMAPK1HSD17B10ATM
SCHEMBL27853484 0.81 TDP1 (0.72) ALDH1A1GAAMAPK1HSD17B10ATM
Bromide SCHEMBL6849870 0.80 ATM (0.54) ALDH1A1GAAATMTDP1KDM4E
SCHEMBL8207532 0.80 TDP1 (0.54) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL17923940 0.80 TDP1 (0.57) ALDH1A1GAAMAPK1HSD17B10ATM

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651034-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2006-05-03 EP claimed
WO-2005013687-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-02-17 WO claimed
EP-1504664-A1 Organic compounds Novartis AG (CH) 2005-02-09 EP claimed
CN-118266473-A Pest control agent composition for agricultural and horticultural applications and method for using the same 日本农药株式会社 2024-07-02 CN disclosed
CN-109690404-A PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE RESIN LAMINATE 旭化成株式会社 2019-04-26 CN disclosed
CN-102349540-B Pesticidal compositions SYNGENTA PARTICIPATIONS AG 2015-07-22 CN disclosed
US-8834909-B2 Granule baits NOVARTIS AG (CH) 2014-09-16 US disclosed
US-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
CN-101077072-B Pesticide composition NOVARTIS AG 2012-08-08 CN disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
WO-2005013687-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-02-17 WO disclosed
EP-1504664-A1 Organic compounds Novartis AG (CH) 2005-02-09 EP disclosed
CN-1418126-A Microcapsule suspensions BAYER AG (DE) 2003-05-14 CN disclosed
CN-1401234-A Pesticide composition NOVARTIS AG (CH) 2003-03-12 CN disclosed
CN-1092488-C Pesticide composition NOVARTIS AG (CH) 2002-10-16 CN disclosed
CN-1220578-A Pesticide composition NOVARTIS AG (CH) 1999-06-23 CN disclosed
CN-1161690-A Substituted pyridines, their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-10-08 CN disclosed
US-4205066-A Bait compositions for anthropophilic flies AIRWICK INDUSTRIES, INC. (US) 1980-05-27 US disclosed
US-3938986-A ISOPROPYL N-PHENYLCARBAMATE OR ISOPROPYL N-(3-CHLOROPHENYL)CARBAMATE AND 4-CHLOROPHENYL N-METHYLCARBAMATE PPG INDUSTRIES, INC. (US) 1976-02-17 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-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885GAA 1339/4885PGR 3222/4885

“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.