SCHEMBL10308503

SCHEMBL10308503

CCOP(C)(=O)OCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARD Q03181 2/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 5/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL28948998 0.92 MEN1 (0.52) ALDH1A1MEN1KMT2APPARDTHRB
SCHEMBL28948999 0.92 MEN1 (0.52) ALDH1A1MEN1KMT2APPARDTHRB
SCHEMBL10308499 0.92 MEN1 (0.52) ALDH1A1MEN1KMT2APPARDTHRB
SCHEMBL10158983 0.87 PPARD (0.48) ALDH1A1PPARDTSHRPKMTP53
SCHEMBL14570488 0.86 MEN1 (0.46) ALDH1A1MEN1KMT2APPARDTHRB
SCHEMBL14582791 0.86 MEN1 (0.46) ALDH1A1MEN1KMT2APPARDTHRB
SCHEMBL14582788 0.83 TSHR (0.47) ALDH1A1MEN1KMT2APPARDTSHR
SCHEMBL12116723 0.83 TSHR (0.42) ALDH1A1PPARDTSHRCYP3A4PKM
SCHEMBL10416347 0.82 TSHR (0.55) ALDH1A1MEN1KMT2APPARDTHRB
SCHEMBL21694823 0.80 PPARD (0.45) ALDH1A1MEN1KMT2APPARDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024014-B2 Phosphorus-containing compounds and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-9024014-B2 Phosphorus-containing compounds and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20120178714-A1 Phosphorus-containing Compounds & Uses Thereof ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-8058426-B2 Phosphorus-containing compounds and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20100197907-A1 Phosphorus-containing compounds & uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-7709020-B2 Rapamaycin derivatives used as fungicides, anticarcinogenic agents, immunosuppressants or as coatings on drug eluting stents to prevent restenosis ARIAD PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20070190106-A1 Phosphorus-containing compounds & uses thereof MEDINOL LTD. (IL) 2007-08-16 US disclosed
US-7186826-B2 Phosphorus-containing compounds and uses thereof ARIAD GENE THERAPEUTICS, INC. (US) 2007-03-06 US disclosed
US-20070026434-A1 Mobility-Modified Nucleobase Polymers and Methods of Using Same APPLERA CORPORATION (US) 2007-02-01 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 (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-20100197907-A1 Phosphorus-containing compounds & uses thereof NR5A2, NR2E3, VDR ALDH1A1 4692/4885MEN1 1917/4885KMT2A 137/4885
US-20070026434-A1 Mobility-Modified Nucleobase Polymers and Methods of Using Same PCNA, PNKP, SAMHD1 ALDH1A1 4308/4885MEN1 2131/4885KMT2A 2782/4885
US-20070190106-A1 Phosphorus-containing compounds & uses thereof NR5A2, NR2E3, VDR ALDH1A1 4692/4885MEN1 1917/4885KMT2A 137/4885
US-20120178714-A1 Phosphorus-containing Compounds & Uses Thereof ALPP, ALPI, PHOSPHO1 ALDH1A1 2663/4885MEN1 453/4885KMT2A 4368/4885

“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.