SCHEMBL2590580

SCHEMBL2590580

CCN(CC)CCCOC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.67
SCN2A Q99250 4/20 0.67
SCN3A Q9NY46 4/20 0.67
PTGS2 P35354 3/20 0.60
KDM4E B2RXH2 4/20 0.50
TSHR P16473 4/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
ESR1 P03372 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48

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
SCHEMBL30059224 1.00 SCN1A (0.67) SCN1ASCN2ASCN3APTGS2KDM4E
Hydrochloric Acid SCHEMBL2578554 0.99 SCN1A (0.65) SCN1ASCN2ASCN3APTGS2KDM4E
Aspirin Trelamine SCHEMBL2467129 0.92 SCN1A (0.65) SCN1ASCN2ASCN3APTGS2KDM4E
Aspirin Trelamine SCHEMBL30345899 0.92 SCN1A (0.65) SCN1ASCN2ASCN3APTGS2KDM4E
Aspirin Trelamine SCHEMBL2578309 0.91 SCN1A (0.64) SCN1ASCN2ASCN3APTGS2KDM4E
Aspirin Trelamine SCHEMBL28209327 0.91 SCN1A (0.64) SCN1ASCN2ASCN3APTGS2KDM4E
Aspirin Trelamine SCHEMBL30058370 0.91 SCN1A (0.64) SCN1ASCN2ASCN3APTGS2KDM4E
Aspirin Trelamine SCHEMBL27964262 0.90 SCN1A (0.66) SCN1ASCN2ASCN3APTGS2KDM4E
Hydrochloric Acid SCHEMBL31465590 0.88 SCN1A (0.61) SCN1ASCN2ASCN3APTGS2KDM4E
Aspirin Trelamine SCHEMBL29481379 0.87 SCN1A (0.63) SCN1ASCN2ASCN3APTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
US-11541029-B2 High penetration compositions and their applications TECHFIELDS PHARMA CO., LTD. (CN) 2023-01-03 US disclosed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
CN-113636965-A High penetration composition and application thereof 于崇曦 2021-11-12 CN disclosed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 CN disclosed
CN-111808011-A High penetration composition and application thereof 于崇曦 2020-10-23 CN disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS PREMIER RESEARCH INTERNATIONAL, LLC 2011-11-03 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 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 (6 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-20110269689-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC19A1, HIRA, SLC43A1 SCN1A 355/4885SCN2A 426/4885SCN3A 341/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN1A 846/4885SCN2A 918/4885SCN3A 1200/4885
US-11541029-B2 High penetration compositions and their applications SLC19A1, HIRA, SLC43A1 SCN1A 355/4885SCN2A 426/4885SCN3A 341/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN1A 846/4885SCN2A 918/4885SCN3A 1200/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 SCN1A 343/4885SCN2A 447/4885SCN3A 487/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SCN1A 846/4885SCN2A 918/4885SCN3A 1200/4885

“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.