SCHEMBL2209012

SCHEMBL2209012

CCOC(C)(P=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
NR4A2 P43354 1/20 0.43
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 2/20 0.41
PLA2G4B P0C869 1/20 0.41
RXRG P48443 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL2208167 0.84 MAPT (0.47) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL4689119 0.82 MEN1 (0.46) SRD5A2MEN1CYP1A2KMT2ARXRA
SCHEMBL2209007 0.74 RXRA (0.47) SRD5A2MEN1CYP1A2KMT2ARXRA
SCHEMBL2595617 0.73 SRD5A2 (0.57) SRD5A2MEN1CYP1A2KMT2ARXRA
SCHEMBL28741621 0.73 MEN1 (0.54) SRD5A2MEN1CYP1A2KMT2ARXRA
SCHEMBL4689121 0.72 MEN1 (0.46) SRD5A2MEN1CYP1A2KMT2ARXRA
SCHEMBL18275098 0.72 SRD5A2 (0.47) SRD5A2MEN1CYP1A2KMT2ARXRA
SCHEMBL27482873 0.71 ALDH1A1 (0.46) MEN1KMT2ARXRARXRBNR4A2
SCHEMBL21943639 0.70 SRD5A2 (0.53) SRD5A2MEN1CYP1A2KMT2ARXRA
SCHEMBL11697929 0.70 MEN1 (0.59) SRD5A2MEN1CYP1A2KMT2ARXRA

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-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
EP-2049124-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2008010985-A2 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2008-01-24 WO 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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN SRD5A2 2876/4885MEN1 2398/4885CYP1A2 4582/4885

“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.