SCHEMBL19240097

SCHEMBL19240097

CC1(C)CC(=O)C(=C/C=C/Nc2ccccc2)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.44
▸ ALDH1A1 P00352 9/20 0.43
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ HTT P42858 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ BUB1 O43683 2/20 0.36

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
SCHEMBL11109819 0.81 ALDH1A1 (0.60) ALDH1A1MAOAMAOBMAPTL3MBTL1
SCHEMBL12260834 0.78 ALDH1A1 (0.66) APPALDH1A1KMT2AHTTLMNA
SCHEMBL13317581 0.73 METAP1 (0.58) APPALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL14574020 0.73 ALDH1A1 (0.62) APPALDH1A1KMT2AHTTLMNA
SCHEMBL19240095 0.71 APP (0.43) APPALDH1A1MAPTKMT2AMEN1
SCHEMBL13317579 0.71 METAP1 (0.60) APPALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL9889248 0.70 APP (0.44) APPALDH1A1MAPTKMT2AHTT
SCHEMBL19240076 0.69 ALDH1A1 (0.47) APPALDH1A1MAOAMAPTL3MBTL1
SCHEMBL2025945 0.68 ALDH1A1 (0.51) APPALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL19240074 0.68 ALDH1A1 (0.46) APPALDH1A1MAOAMAPTL3MBTL1

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-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 — — 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-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP APP 3/4885ALDH1A1 752/4885MAOA 206/4885

“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.

Send feedback