SCHEMBL329986

SCHEMBL329986

COc1cc(CO)c([N+](=O)[O-])cc1OCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
CYP2C19 P33261 3/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
CYP2D6 P10635 2/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
CTSD P07339 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 2/20 0.42
PPARA Q07869 1/20 0.41

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
SCHEMBL6326183 0.91 RAB9A (0.50) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL6858339 0.90 CTSD (0.46) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL29052118 0.90 RAB9A (0.47) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL4406336 0.89 RAB9A (0.46) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL4668525 0.87 HTR2A (0.48) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL13246821 0.86 CYP3A4 (0.52) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL14514229 0.85 RAB9A (0.47) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL31539516 0.84 ALDH1A1 (0.55) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL29976361 0.84 RAB9A (0.57) RAB9ASMN1; SMN2NPC1CYP2C19MEN1
SCHEMBL67755 0.84 RAB9A (0.57) RAB9ASMN1; SMN2NPC1CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12324769-B1 Double-network versatile hydrogel with antibacterial and drug sequential release capabilities EYE INSTITUTE OF SHANDONG FIRST MEDICAL UNIVERSITY (CN) 2025-06-10 US claimed
US-20250169985-A1 DOUBLE-NETWORK VERSATILE HYDROGEL WITH ANTIBACTERIAL AND DRUG SEQUENTIAL RELEASE CAPABILITIES EYE INSTITUTE OF SHANDONG FIRST MEDICAL UNIVERSITY (CN) 2025-05-29 US claimed
CN-119570065-A Composite hydrogel precursor liquid, preparation method and application thereof, and preparation method of anti-swelling medical hydrogel 南通大学 2025-03-07 CN claimed
CN-117482289-B Preparation method of double-network multifunctional hydrogel with antibacterial and drug sequential release capabilities 山东第一医科大学附属眼科研究所(山东省眼科研究所、山东第一医科大学附属青岛眼科医院) 2024-05-28 CN claimed
CN-117482289-A Preparation method of double-network multifunctional hydrogel with antibacterial and drug sequential release capabilities 山东第一医科大学附属眼科研究所(山东省眼科研究所、山东第一医科大学附属青岛眼科医院) 2024-02-02 CN claimed
CN-115895280-B Photosensitive silk fibroin hydrogel and preparation method and application thereof 南通大学 2024-01-26 CN claimed
CN-115895280-A Photosensitive silk fibroin hydrogel and preparation method and application thereof 南通大学 2023-04-04 CN claimed
CN-115710776-A Antibacterial hemostatic adhesive film for activating immunoreaction by illumination, preparation method and application 南通大学 2023-02-24 CN claimed
US-7166696-B2 Solid phase synthesis supports and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-23 US claimed
US-20040265899-A1 Solid phase synthesis supports and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-12-30 US claimed
EP-1373167-A2 SOLID PHASE SYNTHESIS SUPPORTS AND METHODS 3M Innovative Properties Company (US) 2004-01-02 EP claimed
US-20020173051-A1 Solid phase synthesis supports and methods 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US claimed
WO-2002081078-A2 SOLID PHASE SYNTHESIS SUPPORTS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-10-17 WO claimed
CN-120242011-A Preparation method of HIV blocking nano-particles for targeting and activating immune cells 南通大学 2025-07-04 CN disclosed
US-12324769-B1 Double-network versatile hydrogel with antibacterial and drug sequential release capabilities EYE INSTITUTE OF SHANDONG FIRST MEDICAL UNIVERSITY (CN) 2025-06-10 US disclosed
US-20250169985-A1 DOUBLE-NETWORK VERSATILE HYDROGEL WITH ANTIBACTERIAL AND DRUG SEQUENTIAL RELEASE CAPABILITIES EYE INSTITUTE OF SHANDONG FIRST MEDICAL UNIVERSITY (CN) 2025-05-29 US disclosed
US-20030228619-A1 Peptide nucleic acids as tags in encoded libraries XENOPORT, INC. 2003-12-11 US disclosed
EP-1360004-A1 CATALYSTS Johnson Matthey PLC (GB) 2003-11-12 EP disclosed
US-20020173051-A1 Solid phase synthesis supports and methods 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
WO-2002066159-A1 CATALYSTS JOHNSON MATTHEY PLC (GB) 2002-08-29 WO 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-20020173051-A1 Solid phase synthesis supports and methods FES, LSS, CCNK RAB9A 4289/4885SMN1; SMN2 1357/4885NPC1 2024/4885
US-20040265899-A1 Solid phase synthesis supports and methods FES, LSS, CCNK RAB9A 4289/4885SMN1; SMN2 1357/4885NPC1 2024/4885

“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.