SCHEMBL21046448

SCHEMBL21046448

CC(=O)N1/C(=C\c2ccccc2O)C(=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ CES1 P23141 3/20 0.55
▸ MIF P14174 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ PLK4 O00444 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.39
▸ MAOA P21397 1/20 0.39

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
SCHEMBL29537777 1.00 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL22625268 0.85 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL19462940 0.83 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL8479428 0.81 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL8479422 0.81 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL15959923 0.81 CES1 (0.67) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL31428577 0.77 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL19463022 0.76 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL22625306 0.76 MAPK1 (0.57) ALDH1A1MAPTSMN1; SMN2MAPK1HTT
SCHEMBL15959924 0.75 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053933-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2021-02-25 — — US disclosed
US-10899727-B2 Therapeutic aurones Middle Tennessee State University (US) 2021-01-26 — — US disclosed
US-20200399238-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2020-12-24 — — US disclosed
US-20200399238-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2020-12-24 — — US disclosed
WO-2020223439-A1 AURONES AND METHODS OF USING AURONES TO TREAT TUBERCULOSIS Middle Tennessee State University (US) 2020-11-05 — — WO disclosed
US-20190169151-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2019-06-06 — — US disclosed
US-20190169151-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2019-06-06 — — 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-10899727-B2 Therapeutic aurones AURKA, PIGS, PRF1 ALDH1A1 2134/4885MAPT 3325/4885SMN1; SMN2 4248/4885
US-20200399238-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 ALDH1A1 2134/4885MAPT 3325/4885SMN1; SMN2 4248/4885
US-20210053933-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 ALDH1A1 2134/4885MAPT 3325/4885SMN1; SMN2 4248/4885
US-20190169151-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 ALDH1A1 2134/4885MAPT 3325/4885SMN1; SMN2 4248/4885

“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.

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