SCHEMBL15901888

SCHEMBL15901888

C=CCC(CCCCCCCCCCC)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.41
▸ CYP17A1 P05093 5/20 0.39
▸ PIK3R1 P27986 3/20 0.37
▸ AKT1 P31749 3/20 0.37
▸ AKT2 P31751 3/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ AKT3 Q9Y243 3/20 0.37
▸ TBXA2R P21731 1/20 0.34
▸ CYP19A1 P11511 3/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL28358109 1.00 TBXAS1 (0.41) TBXAS1CYP17A1PIK3R1AKT1AKT2
Bromide SCHEMBL28937656 0.99 TBXAS1 (0.41) TBXAS1CYP17A1PIK3R1AKT1AKT2
Hydrochloric Acid SCHEMBL28887851 0.99 TBXAS1 (0.41) TBXAS1CYP17A1PIK3R1AKT1AKT2
Hydrochloric Acid SCHEMBL28382553 0.97 CYP17A1 (0.39) TBXAS1CYP17A1PIK3R1AKT1AKT2
SCHEMBL28910858 0.95 CYP17A1 (0.39) TBXAS1CYP17A1PIK3R1AKT1AKT2
SCHEMBL2518955 0.88 CYP17A1 (0.41) TBXAS1CYP17A1CYP19A1
Bromide SCHEMBL28301180 0.86 CYP17A1 (0.40) TBXAS1CYP17A1CYP19A1
SCHEMBL18885407 0.86 TBXAS1 (0.50) TBXAS1CYP17A1PIK3R1AKT1AKT2
SCHEMBL19611321 0.86 TBXAS1 (0.50) TBXAS1CYP17A1PIK3R1AKT1AKT2
SCHEMBL9722522 0.86 TBXAS1 (0.50) TBXAS1CYP17A1PIK3R1AKT1AKT2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114015089-B Preparation method of imidazolium salt/carboxymethyl cellulose/soluble starch composite film with high antibacterial activity 西安理工大学 2024-06-07 — — CN claimed
CN-114015089-B Preparation method of imidazolium salt/carboxymethyl cellulose/soluble starch composite film with high antibacterial activity 西安理工大学 2024-06-07 — — CN disclosed
CN-114015089-B Preparation method of imidazolium salt/carboxymethyl cellulose/soluble starch composite film with high antibacterial activity 西安理工大学 2024-06-07 — — CN disclosed
CN-114015089-A Preparation method of imidazolium salt/carboxymethyl cellulose/soluble starch composite film with high antibacterial activity 西安理工大学 2022-02-08 — — CN disclosed
US-9131692-B2 Antibacterial imidazolium compound and antibacterial photocurable thiol-ene compositions comprising the same, and antibacterial polymer coatins prepared therefrom KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-09-15 — — US disclosed
US-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-31 — — 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 (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-20140212374-A1 ANTIBACTERIAL IMIDAZOLIUM COMPOUND AND ANTIBACTERIAL PHOTOCURABLE THIOL-ENE COMPOSITIONS COMPRISING THE SAME, AND ANTIBACTERIAL POLYMER COATINS PREPARED THEREFROM WASF2, MACF1, ETF1 TBXAS1 3966/4885CYP17A1 3636/4885PIK3R1 3451/4885

“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.

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