SCHEMBL10139341

SCHEMBL10139341

CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.56
ALDH1A1 P00352 9/20 0.51
HPGD P15428 2/20 0.51
CYP19A1 P11511 2/20 0.50
TRPA1 O75762 2/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL14822843 1.00 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13253745 1.00 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL20719903 1.00 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL20328573 1.00 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL19670085 1.00 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL10139342 1.00 EPHX1 (0.56) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL21623926 0.89 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL130771 0.85 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL27975519 0.85 EPHX1 (0.54) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL5358744 0.84 EPHX1 (0.50) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834568-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725419-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20160024116-A1 Kinase Inhibitors And Their Uses MIDCAP FINANCIAL TRUST 2016-01-28 US disclosed
US-9096542-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8410093-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-04-02 US disclosed
US-20120015937-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8053434-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-11-08 US disclosed
US-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-7868013-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-01-11 US disclosed
US-7858633-B2 Cycloalkyl substituted pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7754714-B2 (1S, 2R)-N4-(2-Aminocarbonylcyclopent-1-yl)-5-fluoro-N2-[4-(4-methylpiperazin-1-yl)-3-methylphenyl]-2,4-pyrimidinediamine, having antiproliferative activity, used to inhibit cellular proliferation and to treat proliferate diseases such as cancers RIGEL PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-7601713-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-12-27 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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 (8 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-20110152518-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 EPHX1 2764/4885ALDH1A1 1807/4885HPGD 1278/4885
US-20070299060-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 EPHX1 2764/4885ALDH1A1 1807/4885HPGD 1278/4885
US-20120015937-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN EPHX1 3454/4885ALDH1A1 4690/4885HPGD 4354/4885
US-20080009494-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 EPHX1 2764/4885ALDH1A1 1807/4885HPGD 1278/4885
US-20160024116-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN EPHX1 3454/4885ALDH1A1 4690/4885HPGD 4354/4885
US-20130210814-A1 Cycloalkyl Substituted Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, TK1 EPHX1 2764/4885ALDH1A1 1807/4885HPGD 1278/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 EPHX1 2891/4885ALDH1A1 4480/4885HPGD 3492/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN EPHX1 3454/4885ALDH1A1 4690/4885HPGD 4354/4885

“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.