SCHEMBL2048901

SCHEMBL2048901

C=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCC1CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MGLL Q99685 2/20 0.37

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
SCHEMBL5098181 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53TSHRTHRB
SCHEMBL15617 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53TSHRTHRB
SCHEMBL5098171 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4TP53TSHRTHRB
Ethylene SCHEMBL7853286 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRTHRB
Bromide SCHEMBL18420123 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRTHRB
Ammonia Solution, Strong SCHEMBL6567043 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRTHRB
SCHEMBL6684934 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRTHRB
SCHEMBL9751485 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRTHRB
SCHEMBL20496120 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRTHRB
Ammonia Solution, Strong SCHEMBL5969764 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4TP53TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118667162-A Photosensitive polyamic acid ester, preparation method thereof, photosensitive polyimide photoetching composition and application 广东粤港澳大湾区黄埔材料研究院 2024-09-20 CN claimed
CN-117297981-A Antibacterial dental repair material 北京化工大学 2023-12-29 CN claimed
EP-3864002-B1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-12-27 EP claimed
WO-2023105315-A1 DENTAL COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-06-15 WO claimed
CN-115429701-A Preparation method of sea urchin-shaped zinc oxide antibacterial dental composite resin with high exposure advantage 四川省医学科学院·四川省人民医院 2022-12-06 CN claimed
CN-114306094-B Dental restoration resin composition and preparation method and application thereof 山东大学 2022-11-22 CN claimed
CN-115192466-A Preparation method of lamellar flower-shaped zinc oxide antibacterial dental composite resin 西南交通大学 2022-10-18 CN claimed
US-20220033345-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2022-02-03 US claimed
EP-3864002-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS 3M Innovative Properties Company (US) 2021-08-18 EP claimed
CN-112789263-A Addition-fragmentation agents with pendant amine groups 3M创新有限公司 2021-05-11 CN claimed
EP-1879543-A1 DENTAL COMPOSITIONS CONTAINING HYBRID MONOMERS 3M Innovative Properties Company (US) 2008-01-23 EP claimed
WO-2007035735-A1 CURABLE COMPOSITIONS CONTAINING DITHIANE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-03-29 WO claimed
US-20070066748-A1 Curable compositions containing dithiane monomers 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US claimed
WO-2006122074-A1 HARDENABLE DENTAL COMPOSITIONS WITH LOW POLYMERIZATION SHRINKAGE 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-16 WO claimed
WO-2006122081-A1 DENTAL COMPOSITIONS CONTAINING HYBRID MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-16 WO claimed
WO-1997002787-A1 FLUORIDE RELEASING DENTAL PIT AND FISSURE SEALANT DISPENSING SYSTEM AND METHOD DENTSPLY INTERNATIONAL INC. (US) 1997-01-30 WO claimed
US-4284707-A Photocurable light-sensitive composition SOMAR MANUFACTURING CO., LTD. (JP) 1981-08-18 US claimed
US-4261879-A DENTISTRY JOHNSON & JOHNSON DENTAL PRODUCTS COMPANY (US) 1981-04-14 US claimed
US-4260701-A Formulation for self-curing artificial fingernails containing methoxyethyl methacrylate LEE PHARMACEUTICALS (US) 1981-04-07 US claimed
US-3940362-A Cross-linked cyanoacrylate adhesive compositions JOHNSON & JOHNSON (US) 1976-02-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220033345-A1 ADDITION-FRAGMENTATION AGENT WITH PENDENT AMINE GROUPS PARP1, ETFA, PARP2 ALDH1A1 732/4885CYP3A4 689/4885TP53 3058/4885

“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.