SCHEMBL5078294

SCHEMBL5078294

CCCCNC(CC(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.53
PLA2G5 P39877 2/20 0.53
BCHE P06276 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.44
PLA2G10 O15496 2/20 0.44
NOD1 Q9Y239 2/20 0.43
FOLH1 Q04609 3/20 0.42
LAP3 P28838 3/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL3702684 1.00 PLA2G2A (0.53) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL8230655 0.94 PLA2G2A (0.55) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL8495401 0.94 PLA2G2A (0.55) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL8674366 0.93 PLA2G2A (0.58) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL13279091 0.93 PLA2G2A (0.58) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL25335826 0.93 PLA2G2A (0.58) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL5171168 0.93 PLA2G2A (0.58) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL25335737 0.93 PLA2G2A (0.58) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL8674369 0.93 PLA2G2A (0.58) PLA2G2APLA2G5BCHEALDH1A1MEN1
SCHEMBL13279088 0.93 PLA2G2A (0.58) PLA2G2APLA2G5BCHEALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101601634-B Infant anus skin care solution ZHANG JIEYU 2012-07-18 CN claimed
CN-101601634-A Infant anus skin care solution YULIN ZHANG (CN) 2009-12-16 CN claimed
EP-3647319-B1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER SHANGHAI CO LTD (CN) 2025-04-09 EP disclosed
US-12129312-B2 Peptide compound, application thereof and composition containing same XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-10-29 US disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 US disclosed
US-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2021-12-30 US disclosed
EP-3647319-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-06 EP disclosed
EP-3197891-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 EP disclosed
WO-2016046157-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO disclosed
CN-102112486-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-02-12 CN disclosed
CN-101601634-A Infant anus skin care solution YULIN ZHANG (CN) 2009-12-16 CN disclosed
CN-101296910-A Benzodiazepine and benzopiperazine analog inhibitors of histone deacetylase METHYLGENE INC (CA) 2008-10-29 CN disclosed
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP disclosed
CN-101165056-A Optical activity alpha-amino acid and preparation of derivative thereof WUHAN ENDEHUA TECHNOLOGY CO LT (CN) 2008-04-23 CN disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO disclosed
CN-1171118-A Fibronectin adhesion inhibitors ZENECA LTD (GB) 1998-01-21 CN disclosed
CN-1085546-A Aminediol protease inhibitors SQUIBB & SONS INC (US) 1994-04-20 CN disclosed
CN-1085223-A The 17-beta substitution-4-azepine-5 α-androstane-3-one derivative ERBA CARLO SPA (IT) 1994-04-13 CN disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 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-12129312-B2 Peptide compound, application thereof and composition containing same VIP, NGLY1, FURIN PLA2G2A 4051/4885PLA2G5 2807/4885BCHE 294/4885
US-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, PEPD PLA2G2A 4575/4885PLA2G5 2521/4885BCHE 993/4885
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN PLA2G2A 3880/4885PLA2G5 2745/4885BCHE 271/4885

“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.