SCHEMBL13530350

SCHEMBL13530350

C=CCOCCP(=O)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.45
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL30956303 0.86 PPARD (0.40) PPARDTSHRPOLBMEN1KMT2A
SCHEMBL13530352 0.82 PPARD (0.47) PPARDTSHRTDP1TP53
SCHEMBL9858061 0.80 TSHR (0.44) PPARDTSHRPOLBMEN1KMT2A
SCHEMBL4881306 0.79 PPARD (0.56) PPARDTSHRTDP1TP53ALDH1A1
SCHEMBL4882046 0.79 PPARD (0.56) PPARDTSHRTDP1TP53ALDH1A1
SCHEMBL4164665 0.79 PPARD (0.56) PPARDTSHRMEN1KMT2ATDP1
SCHEMBL18161752 0.76 PPARD (0.48) PPARDTSHRTDP1TP53
SCHEMBL23786286 0.75 PPARD (0.52) PPARDTSHRTDP1TP53
SCHEMBL212199 0.75 PPARD (0.52) PPARDTSHRMEN1KMT2ATDP1
SCHEMBL19352052 0.75 PPARD (0.52) PPARDTSHRMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 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 (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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN PPARD 1752/4885TSHR 4311/4885POLB 205/4885

“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.