SCHEMBL411459

SCHEMBL411459

CC(=O)Oc1cccc2c1Cc1ccccc1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTGS2 P35354 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
BLM P54132 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACSL1 P33121 1/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 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
Acetic Acid SCHEMBL1060685 0.97 MAOA (0.43) MAOAMAOBPTGS2KDM4EHSD17B10
Ether SCHEMBL1176750 0.92 MAOA (0.39) MAOAMAOBPTGS2KDM4EHSD17B10
SCHEMBL412590 0.89 MAOA (0.43) MAOAMAOBKDM4EHSD17B10ALDH1A1
SCHEMBL2715642 0.88 MAOA (0.48) MAOAMAOBKDM4EHSD17B10ALDH1A1
Glycerin SCHEMBL8001701 0.88 PTGS2 (0.36) MAOAMAOBPTGS2KDM4EHSD17B10
SCHEMBL28121382 0.87 MAOA (0.42) MAOAMAOBKDM4EHSD17B10ALDH1A1
SCHEMBL28671388 0.85 MAOA (0.46) MAOAMAOBKDM4EACSL1LMNA
SCHEMBL28207675 0.85 MAOA (0.42) MAOAMAOBKDM4EESR1ACSL1
SCHEMBL7561920 0.85 MAOA (0.42) MAOAMAOBACSL1
SCHEMBL7559262 0.83 LMNA (0.43) MAOAMAOBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106732110-A A kind of preparation method of heavy metal-polluted water treatment agent 广西大学 2017-05-31 CN claimed
WO-2014099821-A2 SOLAVETIVONE AND 5-EPI-BETA-VERTIVONE AS PEST REPELLANTS AND PESTICIDES ALLYLIX, INC. (US) 2014-06-26 WO claimed
JP-4098830-B2 2008-06-11 JP claimed
CN-1249436-C Patterned deposition of antibody binding proteins for optical diffraction-based biosensors KIMBERLY CLARK CO (US) 2006-04-05 CN claimed
CN-1338052-A Patterned deposition of antibody binding proteins for optical diffraction-based biosensors KIMBERLY CLARK CO (US) 2002-02-27 CN claimed
US-6083890-A CLEANING COMPOUND MONSANTO COMPANY (US) 2000-07-04 US claimed
EP-0915951-A2 ACIDIC CLEANING COMPOSITIONS CONTAINING XANTHAN GUM MONSANTO COMPANY (US) 1999-05-19 EP claimed
WO-1997046656-A2 ACIDIC CLEANING COMPOSITIONS CONTAINING XANTHAN GUM MONSANTO COMPANY (US) 1997-12-11 WO claimed
US-10206393-B2 Solavetivone and 5-epi-β-vetivone as pest repellants and pesticides EVOLVA, INC. (US) 2019-02-19 US disclosed
US-9839214-B2 Solavetivone and 5-epi-beta-vertivone as pest repellants and pesticides EVOLVA, INC. (US) 2017-12-12 US disclosed
CN-106732110-A A kind of preparation method of heavy metal-polluted water treatment agent 广西大学 2017-05-31 CN disclosed
US-9380803-B2 Xanthan gum DUPONT NUTRITION BIOSCIENCES APS (DK) 2016-07-05 US disclosed
US-20160174552-A1 Solavetivone and 5-Epi-Beta-Vertivone as Pest Repellants and Pesticides EVOLVA, INC. 2016-06-23 US disclosed
US-20150250166-A1 NOOTKATONE AS AN INSECTICIDE AND INSECT REPELLENT EVOLVA, INC. 2015-09-10 US disclosed
WO-1997046656-A2 ACIDIC CLEANING COMPOSITIONS CONTAINING XANTHAN GUM MONSANTO COMPANY (US) 1997-12-11 WO disclosed
WO-1997046656-A2 ACIDIC CLEANING COMPOSITIONS CONTAINING XANTHAN GUM MONSANTO COMPANY (US) 1997-12-11 WO disclosed
EP-0787005-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1997-08-06 EP disclosed
US-5545407-A ANTIACNE AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-08-13 US disclosed
WO-1996012498-A2 DERMATOLOGICAL COMPOSITIONS CONTAINING BENZOYL PEROXIDE AND A COMPOUND REDUCING SKIN IRRITATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 WO disclosed
US-5445823-A Benzoyl peroxide and a compound for reducing skin irritation associated with it THE PROCTER & GAMBLE COMPANY (US) 1995-08-29 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 (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-20150250166-A1 NOOTKATONE AS AN INSECTICIDE AND INSECT REPELLENT CYP51A1, ACHE, NISCH MAOA 519/4885MAOB 818/4885PTGS2 1404/4885
US-20160174552-A1 Solavetivone and 5-Epi-Beta-Vertivone as Pest Repellants and Pesticides GRIK5, SCN5A, API5 MAOA 3539/4885MAOB 3783/4885PTGS2 4343/4885
US-10206393-B2 Solavetivone and 5-epi-β-vetivone as pest repellants and pesticides GRIK5, HDAC5, SCN5A MAOA 3334/4885MAOB 3781/4885PTGS2 4286/4885

“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.