SCHEMBL6440343

SCHEMBL6440343

C[C@H](NC1CCCCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
ATM Q13315 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX1 P07099 9/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL29987037 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL288384 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL29986539 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL1468174 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL5980144 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL38558 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL38557 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL1468176 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL16635360 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A
SCHEMBL6440341 1.00 ALDH1A1 (0.49) ALDH1A1NPSR1MEN1RECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022215745-A1 SUBSTANCE OF NOVEL SIDEROPHORE-TYPE ANTIFUNGAL AGENT (COMPOUND) AND USE OF SAME 国立研究開発法人理化学研究所 2022-10-13 WO disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
EP-1012164-B1 SERINE PROTEASE INHIBITORS AKZO NOBEL NV (NL) 2004-09-22 EP disclosed
EP-0979240-B1 SERINE PROTEASE INHIBITORS AKZO NOBEL NV (NL) 2004-04-14 EP disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
EP-0858464-B1 THROMBIN INHIBITORS AKZO NOBEL NV (NL) 2003-05-07 EP disclosed
US-6534495-B1 Anticoagulants that prevent thrombin-related diseases. AKZO NEBEL (NL) 2003-03-18 US disclosed
US-20020142967-A1 Thrombin inhibitors ADANG A E P (NL) 2002-10-03 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
WO-1998050420-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1998-11-12 WO disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
EP-0830371-A1 IMIDAZO 1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-03-25 EP disclosed
WO-1997031937-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed
WO-1997031939-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed
WO-1997030073-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-08-21 WO disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 WO disclosed
WO-1996038470-A1 IMIDAZO[1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1996-12-05 WO disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 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 (2 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-20020142967-A1 Thrombin inhibitors SERPINC1, DAO, CTRL ALDH1A1 2677/4885NPSR1 1829/4885MEN1 4623/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ALDH1A1 170/4885NPSR1 457/4885MEN1 1002/4885

“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.