SCHEMBL11606325

SCHEMBL11606325

CC(=O)C(C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
MMP2 P08253 2/20 0.42
CA9 Q16790 2/20 0.42
ATM Q13315 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.37
SHBG P04278 1/20 0.37
DHODH Q02127 1/20 0.37
DPP4 P27487 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 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
SCHEMBL12913433 1.00 EPHX1 (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL7143320 1.00 EPHX1 (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL15325041 0.92
SCHEMBL6242702 0.87 EPHX1 (0.46) EPHX1CA12CA1CA2MMP2
SCHEMBL27713854 0.84 EPHX1 (0.42) EPHX1CA12CA1CA2MMP2
SCHEMBL29295753 0.81 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1188709 0.80 EPHX1 (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL2055541 0.80 EPHX1 (0.44) EPHX1CA12CA1CA2MMP2
Cyclohexane SCHEMBL18344237 0.80 EPHX1 (0.44) EPHX1CA12CA1CA2MMP2
SCHEMBL1595664 0.80 EPHX1 (0.44) EPHX1CA12CA1CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2021-01-14 US disclosed
US-RE42164-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-RE41894-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-26 US disclosed
US-20100168175-A1 ATPENINS BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100168175-A1 ATPENINS BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
WO-2010069495-A1 ATPENINS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-24 WO disclosed
US-RE41356-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-05-25 US disclosed
EP-1105413-B1 HEPATITIS C INHIBITOR TRI-PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-29 EP disclosed
EP-2028186-A2 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-02-25 EP disclosed
US-RE40525-E1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-09-30 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
EP-1577090-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2007-06-06 EP disclosed
CN-1191054-C Vitamin C delivery system UNILEVER PLC (NL) 2005-03-02 CN disclosed
CN-1222848-A Vitamin C delivery system UNILEVER PLC (NL) 1999-07-14 CN disclosed
US-4067886-A REACTING KETONES AND KETALS WITH HALOGEN LEVER BROTHERS COMPANY (US) 1978-01-10 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 (3 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP EPHX1 1446/4885CA12 3183/4885CA1 3625/4885
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 EPHX1 1120/4885CA12 4017/4885CA1 4162/4885
US-20100168175-A1 ATPENINS ATP5ME, ATP5MK, ATP5F1B EPHX1 1027/4885CA12 4879/4885CA1 4878/4885

“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.