SCHEMBL2171498

SCHEMBL2171498

CCOC(CNCCC(=O)OC(C)(C)C)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
MLYCD O95822 1/20 0.34
APLNR P35414 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
EPHX1 P07099 1/20 0.32
CTSK P43235 3/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL26030801 0.86 CYP2D6 (0.34) EPHX2MLYCDAPLNRCA12CA1
SCHEMBL7277502 0.83 PTPRC (0.33) APLNRCA12CA2CA14EPHX1
SCHEMBL2170756 0.83 TSHR (0.43) EPHX2CA12CA2CA14EPHX1
SCHEMBL9098228 0.80 CA7 (0.41) EPHX2MLYCDAPLNRCA12CA1
SCHEMBL3485766 0.78 EPHX2 (0.40) EPHX2MLYCDAPLNRCA12CA1
SCHEMBL27837628 0.78 EPHX1 (0.36) EPHX1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27322139 0.77 MAOA (0.55) CA12CA1CA2EPHX1HTT
SCHEMBL948270 0.77 EPHX2 (0.37) EPHX2MLYCDAPLNRCA12CA1
SCHEMBL22880791 0.77 CYP2D6 (0.36) EPHX2MLYCDAPLNRCA12CA1
SCHEMBL24307989 0.76 POLB (0.40) EPHX2CA12CA14EPHX1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-11-23 US disclosed
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-08-24 US disclosed
US-9682996-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2017-06-20 US disclosed
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS Prism BioLab Co., Ltd. (JP) 2015-12-31 US disclosed
US-9126981-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2015-09-08 US disclosed
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS PRISM BIOLAB CORPORATION (JP) 2014-08-07 US disclosed
US-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2011-10-27 US disclosed
EP-2346871-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BioLab Corporation (JP) 2011-07-27 EP disclosed
WO-2010044485-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2010-04-22 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 (5 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-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 EPHX2 2625/4885MLYCD 1072/4885APLNR 53/4885
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS MKI67, CCNI, KRAS EPHX2 4028/4885MLYCD 2871/4885APLNR 4416/4885
US-20110263607-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER COL1A1, HDGF, HCCS EPHX2 942/4885MLYCD 3338/4885APLNR 2000/4885
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 EPHX2 2067/4885MLYCD 2421/4885APLNR 1777/4885
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 EPHX2 2067/4885MLYCD 2421/4885APLNR 1777/4885

“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.