SCHEMBL18840201

SCHEMBL18840201

CC(=O)O/N=C/Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
MAOB P27338 2/20 0.39
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
TOP1 P11387 1/20 0.37
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AKR1B1 P15121 1/20 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
SCHEMBL19433080 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMAPK1MAOB
SCHEMBL6981876 0.83 IDO1 (0.40) ALDH1A1LMNAMAPTMAOBKDM4E
SCHEMBL13505294 0.78 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMAPK1KDM4E
SCHEMBL5146026 0.77 MAPT (0.60) ALDH1A1LMNAMAPTMAPK1KDM4E
SCHEMBL9900604 0.76 THRB (0.37) ALDH1A1LMNAMAPTMAPK1MAOB
SCHEMBL13505416 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETDP1POLB
SCHEMBL6662915 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAOBTOP1CES2
SCHEMBL9278957 0.75 MAOB (0.46) ALDH1A1LMNAMAPTMAPK1MAOB
SCHEMBL7966000 0.75 MAOB (0.46) ALDH1A1LMNAMAPTMAPK1MAOB
SCHEMBL13505276 0.75 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227018-B1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS UNIV VIRGINIA COMMONWEALTH (US) 2021-06-30 EP disclosed
US-10287419-B2 Rubber composition and vulcanization aid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-05-14 US disclosed
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-06-19 US disclosed
US-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS VIRGINIA COMMONWEALTH UNIVERSITY 2017-12-21 US disclosed
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 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 (4 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-20170362181-A1 CHELATION DIRECTED C-H ACTIVATION REACTIONS CATALYZED BY SOLID-SUPPORTED PALLADIUM(II) CATALYSTS WASF2, SCO2, SOD1 ALDH1A1 2424/4885LMNA 3565/4885MAPT 2594/4885
US-10000453-B2 Chelation directed C—H activation reactions catalyzed by solid-supported palladium(II) catalysts WASF2, SOD1, CD274 ALDH1A1 2403/4885LMNA 3454/4885MAPT 2583/4885
US-10287419-B2 Rubber composition and vulcanization aid CCNA1, RCN1, RER1 ALDH1A1 4162/4885LMNA 354/4885MAPT 4791/4885
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID CCNA1, RCN1, RER1 ALDH1A1 4162/4885LMNA 354/4885MAPT 4791/4885

“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.