SCHEMBL2210054

SCHEMBL2210054

CC1(C)COP(=O)(Cc2ccc(C(=O)O)cc2)OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RXRA P19793 2/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4553024 0.80 RXRA (0.40) ALDH1A1RXRARXRBRXRGKMT2A
SCHEMBL1987772 0.74 CYP1A2 (0.30) GAA
SCHEMBL5915989 0.68 MEN1 (0.34) KMT2AMEN1TDP1
SCHEMBL16823555 0.68 ALDH1A1 (0.48) ALDH1A1RXRARXRBRXRGKMT2A
SCHEMBL15647893 0.68 CYP1A2 (0.30)
SCHEMBL24593927 0.66
SCHEMBL2833459 0.66 CYP1A2 (0.30) GAA
SCHEMBL6550390 0.65
SCHEMBL8083423 0.65 TSHR (0.41) ALDH1A1RXRARXRBRXRGSMN1; SMN2
SCHEMBL14930911 0.65 SMN1; SMN2 (0.69) ALDH1A1RXRARXRBRXRGKMT2A

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 6 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-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 US disclosed
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
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2009-10-29 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-20090270351-A1 PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC5, PPM1A, PTEN ALDH1A1 3021/4885RXRA 1412/4885RXRB 1438/4885

“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.