SCHEMBL2097381

SCHEMBL2097381

CCNCCCC(=O)Nc1c(OC)cccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
CHRM2 P08172 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MTNR1B P49286 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2098519 0.84 HDAC1 (0.51) BCHEACHEHDAC3HDAC4HDAC1
SCHEMBL8218651 0.81 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2098191 0.78 NPC1 (0.63) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL11318304 0.77 SMN1; SMN2 (0.56) ALDH1A1POLBMTNR1B
SCHEMBL19573879 0.77 POLB (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1754877 0.76 POLB (0.65) ALDH1A1POLBGAATDP1L3MBTL1
SCHEMBL2097478 0.76 ALDH1A1 (0.66) ALDH1A1L3MBTL1
SCHEMBL1754887 0.75 KMT2A (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28045984 0.73 MEN1 (0.53) ALDH1A1POLB
SCHEMBL17886503 0.73 MEN1 (0.46) ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease FUNDÇÃO OSWALDO CRUZ-FIOCRUZ (BR) 2008-09-11 US claimed
US-8163803-B2 less anesthetic activity, but with more anti-inflammatory and spasmolytic activity; asthma, rhinitis, allergic urticaria, chronic lung inflammation associated with eosinophilia, following the example of atopic asthma and chronic intestinal inflammation, as colitis for instance Fundação Oswaldo Cruz—FIOCRUZ (BR) 2012-04-24 US disclosed
US-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease FUNDÇÃO OSWALDO CRUZ-FIOCRUZ (BR) 2008-09-11 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-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease LTA, LCT, LTC4S BCHE 1447/4885ACHE 119/4885CHRM2 313/4885

“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.