SCHEMBL13453098

SCHEMBL13453098

Cc1c(-c2ccccc2)oc2c(CN(C)C)c(CO)ccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
LMNA P02545 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL8934548 0.86 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2GAACYP3A4
Dimefline SCHEMBL30539856 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2GAA
Dimefline SCHEMBL668130 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2GAA
Dimefline SCHEMBL121889 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL5118184 0.80 LMNA (0.54) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL5123448 0.80 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL14266215 0.74 CYP1A2 (0.45) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL14266220 0.73 LMNA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL8877238 0.72 LMNA (0.47) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL8874213 0.72 LMNA (0.49) ALDH1A1LMNAMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK ALDH1A1 2937/4885LMNA 1556/4885MAPT 4156/4885

“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.