SCHEMBL3959593

SCHEMBL3959593

CCCC(O)Cc1cc2ccccc2cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 1/20 0.41
PDE10A Q9Y233 3/20 0.40
MDM2 Q00987 1/20 0.38
PDPK1 O15530 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CTSK P43235 1/20 0.35
MAPK1 P28482 2/20 0.35
CYP2C9 P11712 2/20 0.35
HIF1A Q16665 2/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL22431758 0.83 ATM (0.45) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL17573000 0.81 ATM (0.46) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL3122540 0.76 ATM (0.51) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL6114924 0.74 ATM (0.57) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL19214856 0.74 ATM (0.46) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL873512 0.74 CYP1A2 (0.54) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL24668044 0.74 L3MBTL1 (0.43) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL20061664 0.73 ATM (0.49) ATML3MBTL1CYP1A2CYP2A6PDE10A
SCHEMBL3960304 0.73 PTPRA (0.53) CYP1A2TSHRCYP2C19ALDH1A1LMNA
SCHEMBL3639839 0.73 HTR2A (0.51) ATML3MBTL1CYP1A2CYP2A6PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362463-B2 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US claimed
US-20090206327-A1 ORGANOMETALLIC COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-08-20 US claimed
EP-1859656-A2 ORGANOMETALLIC COMPLEXES E.I. du Pont de Nemours and Company (US) 2007-11-28 EP claimed
WO-2006072002-A2 ORGANOMETALLIC COMPLEXES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-06 WO claimed
US-8362463-B2 Organometallic complexes E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
US-20090206327-A1 ORGANOMETALLIC COMPLEXES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-08-20 US disclosed
EP-1859656-A2 ORGANOMETALLIC COMPLEXES E.I. du Pont de Nemours and Company (US) 2007-11-28 EP disclosed
WO-2006072002-A2 ORGANOMETALLIC COMPLEXES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-07-06 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-20090206327-A1 ORGANOMETALLIC COMPLEXES SLC25A11, TIMM9, TIMM50 ATM 3135/4885L3MBTL1 1088/4885CYP1A2 2946/4885

“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.