SCHEMBL3258992

SCHEMBL3258992

CCCCCC(=O)C1(C(=O)CP(=O)(OC)OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.34
CES1 P23141 4/20 0.34
AKR1B1 P15121 1/20 0.33
DGKA P23743 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
PTPN1 P18031 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL3257813 0.87 CES2 (0.32) CES2CES1AKR1B1DGKAGPR84
SCHEMBL14119905 0.78 CA1 (0.32)
SCHEMBL3169877 0.78 CES2 (0.43) CES2CES1AKR1B1GPR84PPARG
SCHEMBL14119554 0.78 ACHE (0.30)
SCHEMBL6060343 0.75 TSHR (0.41) CES2CES1AKR1B1GPR84PPARG
SCHEMBL2304429 0.74 KMT2A (0.45) CES2CES1AKR1B1GPR84PPARG
SCHEMBL11717601 0.74 CYP4F2 (0.39)
SCHEMBL6059684 0.73 TSHR (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL6059711 0.73 TSHR (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL2302039 0.73 KMT2A (0.48) CES2CES1DGKAGPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479764-B2 2-methylene-(22E)-25-hexanoyl-24-oxo-26,27-cyclo-22-dehydro-19-nor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-11-19 US disclosed
US-20130005686-A1 2-Methylene-(22E)-25-Hexanoyl-24-OXO-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20130005686-A1 2-Methylene-(22E)-25-Hexanoyl-24-OXO-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-20130005686-A1 2-Methylene-(22E)-25-Hexanoyl-24-OXO-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-03 US disclosed
US-7713953-B2 2-methylene-(22E)-25-(1-methylene-hexyl)-26,27-cyclo-22-dehydro-19-nor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
US-7713953-B2 2-methylene-(22E)-25-(1-methylene-hexyl)-26,27-cyclo-22-dehydro-19-nor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
US-7713953-B2 2-methylene-(22E)-25-(1-methylene-hexyl)-26,27-cyclo-22-dehydro-19-nor-vitamin D analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
WO-2010006129-A2 2-METHYLENE-(22E)-25-(1-METHYLENE-HEXYL)-26,27-CYCLO-22-DEHYDRO-19-NOR-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-14 WO disclosed
WO-2010006129-A2 2-METHYLENE-(22E)-25-(1-METHYLENE-HEXYL)-26,27-CYCLO-22-DEHYDRO-19-NOR-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-14 WO disclosed
US-20100009943-A1 2-Methylene-(22E)-25-(1-Methylene-Hexyl)-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-01-14 US disclosed
US-20100009943-A1 2-Methylene-(22E)-25-(1-Methylene-Hexyl)-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-01-14 US disclosed
US-20100009943-A1 2-Methylene-(22E)-25-(1-Methylene-Hexyl)-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-01-14 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-10479764-B2 2-methylene-(22E)-25-hexanoyl-24-oxo-26,27-cyclo-22-dehydro-19-nor-vitamin D analogs VDR, CYP24A1, CYP27B1 CES2 4727/4885CES1 3528/4885AKR1B1 3005/4885
US-20100009943-A1 2-Methylene-(22E)-25-(1-Methylene-Hexyl)-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs CYP27B1, CYP24A1, VDR CES2 4789/4885CES1 2696/4885AKR1B1 2360/4885
US-20130005686-A1 2-Methylene-(22E)-25-Hexanoyl-24-OXO-26,27-Cyclo-22-Dehydro-19-Nor-Vitamin D Analogs VDR, CYP24A1, CYP27B1 CES2 4727/4885CES1 3528/4885AKR1B1 3005/4885

“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.