SCHEMBL6060025

SCHEMBL6060025

CCOP(=O)(O)C(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.48
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SOAT1 P35610 1/20 0.35
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL9205628 0.81 TSHR (0.40) PPARDTSHRTP53TDP1CA12
SCHEMBL28211136 0.79 LPAR3 (0.47) PPARDTSHRTDP1LPAR1LPAR3
SCHEMBL4459814 0.78 TSHR (0.42) PPARDTSHRTP53TDP1CA12
SCHEMBL13986850 0.77
SCHEMBL4486615 0.77
SCHEMBL13986844 0.77
SCHEMBL2994641 0.77 CA12 (0.48) PPARDTSHRTP53TDP1CA12
SCHEMBL10889980 0.75 TSHR (0.43) PPARDTSHRTP53TDP1CA12
SCHEMBL4453622 0.75 TSHR (0.43) PPARDTSHRTP53TDP1CA12
Fosamine SCHEMBL8535758 0.75 TSHR (0.43) PPARDTSHRTP53TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101418013-A Process for preparing intermediate ethyl methyl propionaldehyde phosphonate UNIV NANKAI (CN) 2009-04-29 CN claimed
CN-101418013-A Process for preparing intermediate ethyl methyl propionaldehyde phosphonate UNIV NANKAI (CN) 2009-04-29 CN disclosed
US-7071344-B1 Vitamin D derivatives with cyclopropyl rings in the lateral chains, a method and intermediate products for the production thereof and the utilization thereof for producing medicaments SCHERING AG (DE) 2006-07-04 US disclosed
US-20050227951-A1 Verification of translation STEINMEYER ANDREAS 2005-10-13 US disclosed
US-20030018194-A1 New Vitamin D derivatives with cyclopropyl rings in the side chains, process and intermediate products for their production and their use for the production of pharmaceutical agents STEINMEYER ANDREAS (DE) 2003-01-23 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 (2 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-20050227951-A1 Verification of translation CYP2R1, CYP24A1, VDR PPARD 617/4885TSHR 1332/4885TP53 2921/4885
US-20030018194-A1 New Vitamin D derivatives with cyclopropyl rings in the side chains, process and intermediate products for their production and their use for the production of pharmaceutical agents CYP2R1, CYP24A1, VDR PPARD 94/4885TSHR 1101/4885TP53 4104/4885

“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.