SCHEMBL4200004

SCHEMBL4200004

CC(C)COC(=O)OCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.40
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS1 P23219 1/20 0.39
APEX1 P27695 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSK P43235 3/20 0.36
TSHR P16473 2/20 0.36
CACNA1B Q00975 1/20 0.35

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
SCHEMBL8293492 0.91 LMNA (0.41) LMNARAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL1669840 0.84 LMNA (0.59) LMNASLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL3485368 0.84 LMNA (0.38) LMNARAB9ASLC1A3SLC1A2SLC1A1
SCHEMBL23129641 0.82 LMNA (0.57) LMNASLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL1672623 0.82 LMNA (0.55) LMNASLC1A3SLC1A2SLC1A1CYP3A4
SCHEMBL698391 0.81 LMNA (0.52) LMNASLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL4630436 0.81 LMNA (0.52) LMNASLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL18072127 0.80 LMNA (0.47) LMNASLC1A3SLC1A2SLC1A1CTSK
SCHEMBL3117465 0.79 ALDH1A1 (0.52) LMNASLC1A3SLC1A2SLC1A1MEN1
SCHEMBL3424857 0.79 LMNA (0.35) LMNARAB9AMEN1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 US disclosed
US-9637504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-05-02 US disclosed
US-20160264598-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 US disclosed
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-09 US disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 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 (7 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-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT LMNA 542/4885RAB9A 1933/4885SLC1A3 4585/4885
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 LMNA 2544/4885RAB9A 1299/4885SLC1A3 74/4885
US-20110136755-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 LMNA 902/4885RAB9A 1066/4885SLC1A3 1832/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 LMNA 2736/4885RAB9A 2417/4885SLC1A3 1058/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT LMNA 542/4885RAB9A 1933/4885SLC1A3 4585/4885
US-20160264598-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT LMNA 542/4885RAB9A 1933/4885SLC1A3 4585/4885
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA LMNA 646/4885RAB9A 1272/4885SLC1A3 3115/4885

“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.