SCHEMBL18079807

SCHEMBL18079807

OCCSCCn1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.50
EGLN3 Q9H6Z9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.41
FDPS P14324 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21408418 0.88 TBXAS1 (0.58) TBXAS1EGLN3KDM4ETP53TSHR
SCHEMBL21408577 0.88 TBXAS1 (0.58) TBXAS1EGLN3KDM4ETP53TSHR
SCHEMBL9046908 0.81 TBXAS1 (0.50) TBXAS1EGLN3KDM4ETP53TSHR
SCHEMBL23120204 0.79 TBXAS1 (0.50) TBXAS1EGLN3KDM4ETP53TSHR
SCHEMBL11788 0.79
SCHEMBL8600458 0.78 TBXAS1 (0.52) TBXAS1EGLN3KDM4ETP53TSHR
SCHEMBL1709955 0.78 TBXAS1 (0.53) TBXAS1EGLN3KDM4ETP53TSHR
SCHEMBL21408486 0.78 TBXAS1 (0.47) TBXAS1EGLN3KDM4ETP53TSHR
SCHEMBL21408488 0.78 TBXAS1 (0.47) TBXAS1EGLN3KDM4ETP53TSHR
Hydrochloric Acid SCHEMBL6437681 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112794822-B Cationic N-substituted aniline ionic liquid, polyionic liquid thereof, preparation method and application 北京师范大学(CN) 2023-01-13 CN claimed
CN-112794822-B Cationic N-substituted aniline ionic liquid, polyionic liquid thereof, preparation method and application 北京师范大学(CN) 2023-01-13 CN disclosed
CN-112794822-A Cationic N-substituted aniline ionic liquid, polyionic liquid thereof, preparation method and application 北京师范大学 2021-05-14 CN disclosed
US-20160264692-A1 POLYMERS AND MEMBRANES FOR SEPARATION OF POLAR ORGANIC COMPOUNDS FROM AQUEOUS MIXTURES AND METHODS OF USING UNITED STATES DEPARTMENT OF ENERGY 2016-09-15 US disclosed
US-20160264692-A1 POLYMERS AND MEMBRANES FOR SEPARATION OF POLAR ORGANIC COMPOUNDS FROM AQUEOUS MIXTURES AND METHODS OF USING UNITED STATES DEPARTMENT OF ENERGY 2016-09-15 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-20160264692-A1 POLYMERS AND MEMBRANES FOR SEPARATION OF POLAR ORGANIC COMPOUNDS FROM AQUEOUS MIXTURES AND METHODS OF USING PHOSPHO1, PEF1, PORCN TBXAS1 2683/4885EGLN3 3950/4885KDM4E 4477/4885

“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.