SCHEMBL900953

SCHEMBL900953

O=C1CCCC2CCCC=C12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
HIF1A Q16665 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CCR2 P41597 1/20 0.33
PTPN1 P18031 2/20 0.32
ESR2 Q92731 1/20 0.32
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
CDC25B P30305 1/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1237586 0.91 MAPT (0.70) MAPTHIF1AMAOAMAOBCCR2
SCHEMBL11181983 0.91 MAPT (0.65) MAPTHIF1AMAOAMAOBCCR2
SCHEMBL6911275 0.91 MAPT (0.59) MAPTHIF1AMAOAMAOBCCR2
SCHEMBL1235852 0.89 MAPT (0.68) MAPTHIF1AMAOAMAOBCCR2
SCHEMBL3397911 0.89 MAPT (0.62) MAPTHIF1AMAOAMAOBCCR2
SCHEMBL1021060 0.84 MAPT (0.56) MAPTHIF1AMAOAMAOBCCR2
SCHEMBL1238056 0.83 MAPT (0.55) MAPTHIF1AMAOAMAOBCCR2
SCHEMBL14763707 0.80 MAPT (0.57) MAPTHIF1ACCR2
SCHEMBL10975426 0.80
SCHEMBL2569326 0.79 MAPT (0.51) MAPTHIF1AMAOAMAOBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4515720-A Method of synthesizing a late-stage intermediate to 11-deoxydaunorubicin and 11-deoxyadriamycin, and two precursors to the object intermediate OREGON GRADUATE CENTER FOR STUDY & RESEARCH (US) 1985-05-07 US claimed
EP-2622051-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS Firmenich SA (CH) 2013-08-07 EP disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
WO-2012041820-A1 4,4-DIMETHYL-DECAL-1-ONE OR -1-OL DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-04-05 WO disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-20100189672-A1 DECALINE DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2010-07-29 US disclosed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 US disclosed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 WO disclosed
US-4543428-A Production of a hexahydronaphthalenone compound OREGON GRADUATE CENTER FOR STUDY & RESEARCH (US) 1985-09-24 US disclosed
US-4543428-A Production of a hexahydronaphthalenone compound OREGON GRADUATE CENTER FOR STUDY & RESEARCH (US) 1985-09-24 US disclosed
US-4515720-A Method of synthesizing a late-stage intermediate to 11-deoxydaunorubicin and 11-deoxyadriamycin, and two precursors to the object intermediate OREGON GRADUATE CENTER FOR STUDY & RESEARCH (US) 1985-05-07 US disclosed
US-4499289-A ANTIATHEROSCLEROSIS G. D. SEARLE & CO. (US) 1985-02-12 US disclosed
EP-0111261-A2 Octahydronapthalenes G.D. Searle & Co. (US) 1984-06-20 EP 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-20060281711-A1 IL-12 modulatory compounds IL2, IL4, IL15 MAPT 3832/4885HIF1A 230/4885MAOA 2199/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 MAPT 3832/4885HIF1A 230/4885MAOA 2199/4885
US-20100189672-A1 DECALINE DERIVATIVES AS PERFUMING INGREDIENTS DECR1, CHRM5, CHRNA7 MAPT 1419/4885HIF1A 3203/4885MAOA 471/4885

“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.