SCHEMBL52556

SCHEMBL52556

CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1CC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.40
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.37
MDM2 Q00987 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM4 O15151 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL65066 0.86 HSP90AA1 (0.50) MEN1KMT2APOLBALDH1A1TSHR
Hydrochloric Acid SCHEMBL9061399 0.85 HSP90AA1 (0.49) MEN1KMT2APOLBALDH1A1TSHR
Bromide SCHEMBL6879691 0.85 HSP90AA1 (0.49) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL25419697 0.83 HSP90AA1 (0.40) MEN1KMT2APOLBPTGS2ALDH1A1
SCHEMBL23351367 0.77 MEN1 (0.49) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL7933455 0.75 MEN1 (0.47) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL15859624 0.74 MEN1 (0.46) MEN1KMT2APOLBPTGS2ALDH1A1
SCHEMBL2392064 0.74 LMNA (0.50) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL13883829 0.74 MEN1 (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL852873 0.72 TSHR (0.50) MEN1KMT2AALDH1A1TSHRHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7528152-B2 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2009-05-05 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed
US-20060154872-A1 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2006-07-13 US disclosed
US-7064211-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2006-06-20 US disclosed
EP-1664088-A2 HEMIASTERLIN DERIVATIVES AND USES THEREOF Eisai Co. Ltd. (JP) 2006-06-07 EP disclosed
US-20050239870-A1 Prevention of restenosis of blood vessels after trauma, angioplasty or stenting; aminoalkylamide, piperidine-, indole-, or pyrrole-amide derivatives; anticarcinogenic agents Eisai Co., Ltd., (JP) 2005-10-27 US disclosed
WO-2005030794-A2 HEMIASTERLIN DERIVATIVES AND USES THEREOF EISAI CO. LTD. (JP) 2005-04-07 WO disclosed
EP-1490054-A2 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER Eisai Co., Ltd (JP) 2004-12-29 EP disclosed
US-20040229819-A1 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2004-11-18 US disclosed
WO-2003082268-A2 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO. LTD (JP) 2003-10-09 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 (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-20060154872-A1 Hemiasterlin derivatives and uses thereof DHCR7, HSD17B7, HCCS MEN1 274/4885KMT2A 3297/4885POLB 3558/4885
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS MEN1 251/4885KMT2A 3692/4885POLB 3602/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS MEN1 274/4885KMT2A 3297/4885POLB 3558/4885
US-20050239870-A1 Prevention of restenosis of blood vessels after trauma, angioplasty or stenting; aminoalkylamide, piperidine-, indole-, or pyrrole-amide derivatives; anticarcinogenic agents EDNRA, ARG1, EDNRB MEN1 3741/4885KMT2A 2295/4885POLB 1106/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS MEN1 251/4885KMT2A 3692/4885POLB 3602/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS MEN1 251/4885KMT2A 3692/4885POLB 3602/4885
US-20040229819-A1 Hemiasterlin derivatives and uses thereof HSD17B7, CYP17A1, DHCR7 MEN1 257/4885KMT2A 2835/4885POLB 3037/4885
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 MEN1 173/4885KMT2A 3889/4885POLB 2884/4885

“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.