SCHEMBL10137778

SCHEMBL10137778

CC(C)C(=O)CCC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
KLK7 P49862 2/20 0.40
GAA P10253 1/20 0.40
ALPL P05186 2/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL13689289 0.98 HPGD (0.48) HPGDHSD11B1ALDH1A1ATMNPC1
SCHEMBL13689285 0.86 CYP1A2 (0.47) HPGDHSD11B1NPC1RAB9A
SCHEMBL23314187 0.84 KDM5A (0.46) HPGD
SCHEMBL22526083 0.83 MAPT (0.40) HPGDHSD11B1ALDH1A1NPC1RAB9A
SCHEMBL25123608 0.83 MAPT (0.37) HPGDHSD11B1NPC1RAB9AKLK7
SCHEMBL13479855 0.82 HSD11B1 (0.42) HPGDHSD11B1ALDH1A1ATMNPC1
SCHEMBL13282268 0.80 GNAI3 (0.45) HSD11B1ALDH1A1ATMTP53
SCHEMBL13254062 0.79 HRH3 (0.40) HSD11B1ALDH1A1ATM
SCHEMBL23806147 0.77 HSD11B1 (0.50) HSD11B1
SCHEMBL18875742 0.77 CCR2 (0.38) HSD11B1ALDH1A1ATMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2021-01-14 US disclosed
US-10544154-B2 Opioid receptor antagonist prodrugs NIRSUM LABORATORIES, INC. (US) 2020-01-28 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
US-20190308988-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 US disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-20080051353-A1 Avermectin And Avermectin Monosaccharide Substituted In The 4\"- And 4\" Position Respectively SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
CN-87108356-A PYRIMIDINE DERIVATIVES 1988-09-07 CN 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 (11 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HPGD 2028/4885HSD11B1 3908/4885ALDH1A1 1991/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HPGD 2426/4885HSD11B1 2329/4885ALDH1A1 2369/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HPGD 2028/4885HSD11B1 3908/4885ALDH1A1 1991/4885
US-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 HPGD 2979/4885HSD11B1 2701/4885ALDH1A1 1604/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 HPGD 4729/4885HSD11B1 2520/4885ALDH1A1 3827/4885
US-10544154-B2 Opioid receptor antagonist prodrugs OPRM1, OPRK1, OPRL1 HPGD 567/4885HSD11B1 1024/4885ALDH1A1 725/4885
US-20190308988-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 HPGD 567/4885HSD11B1 1024/4885ALDH1A1 725/4885
US-20080051353-A1 Avermectin And Avermectin Monosaccharide Substituted In The 4\"- And 4\" Position Respectively CCR6, CHRM4, CHRM5 HPGD 4789/4885HSD11B1 1465/4885ALDH1A1 3420/4885
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 HPGD 2473/4885HSD11B1 4484/4885ALDH1A1 3141/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HPGD 2426/4885HSD11B1 2329/4885ALDH1A1 2369/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HPGD 2028/4885HSD11B1 3908/4885ALDH1A1 1991/4885

“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.