SCHEMBL3124334

SCHEMBL3124334

CC(C)NC(=O)NC(CCO)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 3/20 0.33
THRB P10828 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
TSHR P16473 1/20 0.30
CPB2 Q96IY4 1/20 0.30
P2RX7 Q99572 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3119799 0.84 ALDH1A1 (0.36) EPHX2ALDH1A1MEN1LMNAKMT2A
SCHEMBL3128244 0.81 ALDH1A1 (0.46) EPHX2ALDH1A1MEN1LMNAKMT2A
SCHEMBL27972577 0.75 ATM (0.41) CNR2KMT2AGLAHPGDEPHX1
SCHEMBL571394 0.71 CA1 (0.41) CNR2MEN1KMT2AEPHX1CA1
SCHEMBL3128760 0.69 HDAC4 (0.43) KMT2AEPHX1CA1CA2
SCHEMBL745482 0.68 ALDH1A1 (0.54) EPHX2ALDH1A1MEN1LMNAKMT2A
SCHEMBL1859292 0.68 HDAC4 (0.48) KMT2AEPHX1CA1CA2P2RX7
SCHEMBL15592826 0.68 ALDH1A1 (0.63) ALDH1A1MEN1LMNAKMT2A
SCHEMBL27972576 0.68 CNR2 (0.35) CNR2P2RX7SMN1; SMN2
SCHEMBL3125665 0.67 CNR2 (0.31) CNR2

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-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 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 (2 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 EPHX2 3363/4885CNR2 3018/4885ALDH1A1 201/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 EPHX2 3363/4885CNR2 3018/4885ALDH1A1 201/4885

“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.