SCHEMBL5301611

SCHEMBL5301611

NC(Cn1cccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
TYR P14679 1/20 0.51
DOHH Q9BU89 1/20 0.51
PTGS1 P23219 2/20 0.42
SLC7A5 Q01650 2/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
XIAP P98170 1/20 0.42
GRIA1 P42261 8/20 0.41
GRIA2 P42262 8/20 0.41
GRIA4 P48058 8/20 0.41
GRIK5 Q16478 6/20 0.41
GRIA3 P42263 4/20 0.41
CYP1A2 P05177 4/20 0.41
SLC7A11 Q9UPY5 2/20 0.41
GRM5 P41594 2/20 0.38
GRM1 Q13255 2/20 0.38
GRM3 Q14832 2/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38

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
SCHEMBL5670412 1.00 KDM4E (0.51) KDM4ETYRDOHHPTGS1SLC7A5
SCHEMBL13339153 0.79 KDM4E (0.63) KDM4ETYRDOHHPTGS1SLC7A5
SCHEMBL5281342 0.78 ALDH1A1 (0.45) PTGS1SLC7A5ALPIPKMXIAP
SCHEMBL7649632 0.78 ALDH1A1 (0.45) PTGS1SLC7A5ALPIPKMXIAP
SCHEMBL5295364 0.75 ARG1 (0.51) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL28407399 0.74 OR51E2 (0.40) ALDH1A1HSD17B10
SCHEMBL28407396 0.74 OR51E2 (0.40) ALDH1A1HSD17B10
SCHEMBL4153679 0.74 FDPS (0.51) KDM4ETYRDOHHPTGS1SLC7A5
SCHEMBL503649 0.74 FDPS (0.51) KDM4ETYRDOHHPTGS1SLC7A5
SCHEMBL5324131 0.74 ALDH1A1 (0.53) KDM4ETYRDOHHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979827-A1 Peptides having tachykinin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same Boehringer Ingelheim Pharma KG (DE) 2000-02-16 EP claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 WO claimed
EP-0483403-A1 Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 EP claimed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO disclosed
EP-1399577-B1 METHOD FOR PRODUCING L-AMINO ACIDS SHOWA DENKO KK (JP) 2007-02-07 EP disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1997017362-A1 NOVEL AMINO ACID DERIVATIVES, METHODS OF PRODUCING THEM, AND PHARMACEUTICAL COMPOUNDS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM KG (DE) 1997-05-15 WO disclosed
US-5596000-A NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1997-01-21 US disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed
EP-0610487-A1 NEW AMINOACID DERIVATES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM KG (DE) 1994-08-17 EP disclosed
WO-1994005693-A1 NEW AMINOACID DERIVATES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM KG (DE) 1994-03-17 WO disclosed
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 WO disclosed
EP-0483403-A1 Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-06 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 (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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP KDM4E 3165/4885TYR 1760/4885DOHH 696/4885
US-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 KDM4E 2053/4885TYR 522/4885DOHH 1233/4885

“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.