SCHEMBL825904

SCHEMBL825904

CC(C)(C)OC(=O)CCCCC(N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.48
ARG2 P78540 4/20 0.44
ARG1 P05089 3/20 0.44
NOS2 P35228 5/20 0.44
NOS1 P29475 5/20 0.44
NOS3 P29474 3/20 0.44
CYP1A2 P05177 2/20 0.44
BHMT Q93088 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 2/20 0.42
GRIK1 P39086 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
GRIK2 Q13002 2/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL4758907 0.98 GSR (0.47) GSRARG2ARG1NOS2NOS1
SCHEMBL5968392 0.98 GSR (0.47) GSRARG2ARG1NOS2NOS1
SCHEMBL3858559 0.98 GSR (0.47) GSRARG2ARG1NOS2NOS1
SCHEMBL29579375 0.98 GSR (0.47) GSRARG2ARG1NOS2NOS1
SCHEMBL2218978 0.95 GSR (0.46) GSRARG2ARG1NOS2NOS1
SCHEMBL12463782 0.95 GSR (0.46) GSRARG2ARG1NOS2NOS1
SCHEMBL29891046 0.95 GSR (0.46) GSRARG2ARG1NOS2NOS1
Aminocaproic Acid SCHEMBL5715910 0.89 GSR (0.54) GSRNOS2CYP1A2BHMTTSHR
SCHEMBL5716598 0.89 GSR (0.54) GSRNOS2CYP1A2BHMTTSHR
SCHEMBL130831 0.87 SLC1A1 (0.52) GSRCYP1A2BHMTBLMGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112823855-B Preparation method of reverse osmosis composite membrane 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-112823855-A Preparation method of reverse osmosis composite membrane 万华化学集团股份有限公司 2021-05-21 CN claimed
CN-110551119-B 6-Aminoacylamino n-hexanoyl carboline carboxylic acid benzyl ester, preparation and application thereof 首都医科大学 2020-12-01 CN claimed
CN-110551121-B Glutamine amido n-hexyl carboline carboxylic acid benzyl ester, preparation, activity and application thereof 首都医科大学 2020-11-27 CN claimed
CN-110551121-A Glutamine amido n-hexyl carboline carboxylic acid benzyl ester, preparation, activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2019-12-10 CN claimed
CN-110551119-A 6-Aminoacylamino n-hexanoyl carboline carboxylic acid benzyl ester, preparation and application thereof UNIV CAPITAL MEDICAL SCIENCES 2019-12-10 CN claimed
CN-110551120-A 6-amino amido n-hexanoyl carboline benzyl carboxylate, preparation, activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2019-12-10 CN claimed
CN-101854804-B Hdac inhibitors LIXTE BIOTECHNOLOGY HOLDINGS INC 2014-07-23 CN claimed
US-20120178783-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY, INC. 2012-07-12 US claimed
US-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 US claimed
CN-101854804-A HDAC inhibitor LIXTE BIOTECHNOLOGY HOLDINGS INC 2010-10-06 CN claimed
EP-2200439-A1 HDAC INHIBITORS Lixte Biotechnology, Inc. (US) 2010-06-30 EP claimed
US-20090143445-A1 HDAC Inhibitors JOHN P. WHITE, ESQ 2009-06-04 US claimed
WO-2009045440-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY HOLDINGS, INC. (US) 2009-04-09 WO claimed
US-12636386-B2 Compositions and methods for the treatment and imaging of cancer BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2026-05-26 US disclosed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed
EP-0238202-A2 Glycerol derivatives, their preparation and their therapeutic use Sankyo Company Limited (JP) 1987-09-23 EP 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 (4 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 GSR 1214/4885ARG2 1391/4885ARG1 1141/4885
US-20120178783-A1 HDAC INHIBITORS HDAC3, HDAC4, HDAC7 GSR 1435/4885ARG2 1434/4885ARG1 372/4885
US-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 GSR 1442/4885ARG2 1410/4885ARG1 360/4885
US-12636386-B2 Compositions and methods for the treatment and imaging of cancer GBA1, GALC, CD47 GSR 968/4885ARG2 1424/4885ARG1 509/4885

“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.