SCHEMBL1552599

SCHEMBL1552599

COC(=O)CC(=O)C(C)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 5/20 0.43
HSD17B10 Q99714 3/20 0.40
TET2 Q6N021 1/20 0.38
RECQL P46063 1/20 0.37
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SLC1A1 P43005 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 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
SCHEMBL3202112 0.80 LDHA (0.38) TSHRKDM4EALDH1A1DGAT1
SCHEMBL11377580 0.80 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL204758 0.79 GAA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL28131764 0.78 LDHA (0.36) TSHR
SCHEMBL27807390 0.77 GAA (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL18130134 0.75 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL7097459 0.75 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL31086486 0.75 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL1230604 0.73 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL27485802 0.73 GAA (0.50) MGAMGAASIMGAM2TSHR

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 US disclosed
US-10683274-B2 3-substituted carbonyl-naphtho[2,3-B]furane derivative or pharmaceutically acceptable salt thereof BOSTON BIOMEDICAL, INC. (US) 2020-06-16 US disclosed
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2019-08-08 US disclosed
US-20190241535-A1 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF BOSTON BIOMEDICAL, INC. 2019-08-08 US disclosed
US-10017488-B2 3-substituted carbonyl-naphtho[2,3-B]furane derivative or pharmaceutically acceptable salt thereof BOSTON BIOMEDICAL, INC. (US) 2018-07-10 US disclosed
US-20170174646-A1 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF BOSTON BIOMEDICAL, INC. (US) 2017-06-22 US disclosed
US-20170174646-A1 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF BOSTON BIOMEDICAL, INC. (US) 2017-06-22 US disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 EP disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 US disclosed
EP-3102036-A1 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Boston Biomedical, Inc. (US) 2016-12-14 EP disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 WO disclosed
WO-2006023821-A2 LIGANDS FOR ALDOKETOREDUCTASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-03-02 WO disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO disclosed
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 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 (9 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 MGAM 787/4885GAA 477/4885SI 253/4885
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 MGAM 3699/4885GAA 2327/4885SI 4516/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 MGAM 2826/4885GAA 72/4885SI 304/4885
US-20190241535-A1 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FGFR3, FGFR1, FGF2 MGAM 4646/4885GAA 3530/4885SI 3320/4885
US-20170174646-A1 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF FGFR3, FGFR1, FGF2 MGAM 4646/4885GAA 3530/4885SI 3320/4885
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 MGAM 3699/4885GAA 2327/4885SI 4516/4885
US-10683274-B2 3-substituted carbonyl-naphtho[2,3-B]furane derivative or pharmaceutically acceptable salt thereof FGFR3, FGFR1, FGF2 MGAM 4646/4885GAA 3530/4885SI 3320/4885
US-10017488-B2 3-substituted carbonyl-naphtho[2,3-B]furane derivative or pharmaceutically acceptable salt thereof FGFR3, FGFR1, FGF2 MGAM 4646/4885GAA 3530/4885SI 3320/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR MGAM 3556/4885GAA 2195/4885SI 4412/4885

“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.