2-Nonanone

2-Nonanone

SCHEMBL4562318

CCCCCC.CCCCCC.CCCCCC.CCCCCCCC(C)=O

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.65
▸ CES1 P23141 4/20 0.65
▸ GPR84 Q9NQS5 7/20 0.62
▸ PPARG P37231 7/20 0.62
▸ PPARD Q03181 7/20 0.62
▸ PPARA Q07869 7/20 0.62
▸ HDAC11 Q96DB2 5/20 0.62
▸ TSHR P16473 5/20 0.62
▸ PTPN1 P18031 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ TLR2 O60603 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ FABP4 P15090 2/20 0.62
▸ SLC22A6 Q4U2R8 1/20 0.62
▸ SLC22A8 Q8TCC7 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ KMT2A Q03164 1/20 0.62

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
2-Nonanone SCHEMBL4485770 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Tridecanone SCHEMBL119126 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Tridecanone SCHEMBL19838551 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL24005728 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL6894926 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
2-Dodecanone SCHEMBL23501396 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL43776 1.00 — —
SCHEMBL7618683 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL21044722 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD
SCHEMBL11144661 1.00 CES2 (0.65) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 — — US disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 — — WO disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 — — US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 — — CN disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 — — US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 — — CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 — — CN disclosed
US-20080064681-A1 Therapeutic agent for treating glaucoma D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2008-03-13 — — US disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 — — CN disclosed
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 — — US disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 — — EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 — — US disclosed
WO-2003018548-A2 HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-03-06 — — WO disclosed
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-22 — — US disclosed
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 — — EP disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 — — WO disclosed
EP-0482084-B1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES UPJOHN CO (US) 1997-05-07 — — EP disclosed
US-5491236-A NERVOUS SYTEM DISORDERS THE UPJOHN COMPANY (US) 1996-02-13 — — US disclosed
WO-1991000856-A2 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-24 — — 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 (4 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-20080064681-A1 Therapeutic agent for treating glaucoma PDE6G, PDE3A, PDE5A CES2 3683/4885CES1 3854/4885GPR84 295/4885
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 CES2 614/4885CES1 44/4885GPR84 2733/4885
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 CES2 2477/4885CES1 3374/4885GPR84 1633/4885
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 CES2 482/4885CES1 92/4885GPR84 3014/4885

“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.

Send feedback