SCHEMBL8334928

SCHEMBL8334928

C#CCCOC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRKCA P17252 1/20 0.37
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALOX5 P09917 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
VDR P11473 1/20 0.31
MAPT P10636 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18211709 0.85 MEN1 (0.39) MEN1KMT2ACA2CA9ALOX5
SCHEMBL16353940 0.83 MEN1 (0.41) MEN1KMT2APOLBGAANPSR1
SCHEMBL19105219 0.83 MEN1 (0.38) MEN1KMT2ACA2CA9ALOX5
SCHEMBL17523106 0.82 MEN1 (0.37) MEN1KMT2APRKCACA2CA9
SCHEMBL8247883 0.78 MEN1 (0.46) MEN1KMT2APOLBGAANPSR1
SCHEMBL4258156 0.78 POLB (0.48) MEN1KMT2APOLBGAANPSR1
SCHEMBL2478567 0.77 NPC1 (0.41) POLBGAANPSR1PRKCACA2
SCHEMBL28586646 0.77 MEN1 (0.44) MEN1KMT2APOLBGAANPSR1
SCHEMBL19105278 0.76 MEN1 (0.36) MEN1KMT2ACA2CA9ALOX5
SCHEMBL16176156 0.76 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174988-B2 Small molecule inhibitors of hepatitis C virus TRUSTEES OF BOSTON UNIVERSITY (US) 2015-11-03 US disclosed
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2013-08-01 US disclosed
US-20130065875-A1 SMALL MOLECULE INHIBITORS OF HEPATITIS C VIRUS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-03-14 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-8329742-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2012-12-11 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
US-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS EISAI CO., LTD. (JP) 2011-06-16 US disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7915306-B2 For therapy of inflammatory or autoimmune disorders EISAI CO., LTD. (JP) 2011-03-29 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
US-7799827-B2 Macrocyclic compounds useful as pharmaceuticals EISAI CO., LTD. (JP) 2010-09-21 US disclosed
US-5977394-A Silyl thioalkene compound and method for the preparation thereof JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1999-11-02 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-20110144101-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT1, TBXA2R, VEGFA MEN1 169/4885KMT2A 4194/4885POLB 2548/4885
US-20130196987-A1 MACROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS FLT4, VEGFA, FLT1 MEN1 737/4885KMT2A 4207/4885POLB 2699/4885
US-20130065875-A1 SMALL MOLECULE INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, LIPC MEN1 4699/4885KMT2A 3932/4885POLB 1573/4885

“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.