SCHEMBL13876366

SCHEMBL13876366

CC(C)(C)c1cccc[n+]1O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.33
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
CA2 P00918 1/20 0.31
HDAC8 Q9BY41 2/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL12306280 0.73 HDAC8 (0.46) ALDH1A1TSHRBCHEACHEMAPK1
SCHEMBL8276398 0.71 BCHE (0.31) ALDH1A1TSHRTDP1BCHEACHE
SCHEMBL28491364 0.70 BCHE (0.31) BCHEACHEMAPK1
SCHEMBL2956313 0.69
SCHEMBL14984825 0.68
SCHEMBL13876369 0.65 KIF11 (0.31)
SCHEMBL30630362 0.64 LMNA (0.40) ALDH1A1TSHRTDP1HDAC8
SCHEMBL19115525 0.64 HDAC8 (0.31) HDAC8
SCHEMBL13876365 0.64 KDM4E (0.30) ALDH1A1
SCHEMBL6640541 0.64 LMNA (0.40) ALDH1A1TSHRTDP1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 US disclosed
US-10696617-B2 Method for alcoholysis of amide ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-06-30 US disclosed
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-02-20 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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 (8 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885TSHR 3142/4885TDP1 1900/4885
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 ALDH1A1 3659/4885TSHR 962/4885TDP1 3556/4885
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ADH1A, ADH5, ADH1C ALDH1A1 43/4885TSHR 2649/4885TDP1 2146/4885
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C ALDH1A1 1444/4885TSHR 4709/4885TDP1 3116/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 ALDH1A1 158/4885TSHR 4128/4885TDP1 3578/4885
US-10696617-B2 Method for alcoholysis of amide ADH5, ADH1A, ADH1C ALDH1A1 91/4885TSHR 2356/4885TDP1 2707/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885TSHR 3142/4885TDP1 1900/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885TSHR 3142/4885TDP1 1900/4885

“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.