SCHEMBL21082603

SCHEMBL21082603

COC(=O)c1ccc(/C=C2\Oc3ccccc3C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
MAPT P10636 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 2/20 0.68
POLB P06746 1/20 0.68
MCL1 Q07820 1/20 0.68
ACHE P22303 1/20 0.67
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
STK17B O94768 9/20 0.64
HDAC3 O15379 3/20 0.64
HDAC4 P56524 3/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC8 Q9BY41 3/20 0.64

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
SCHEMBL11861138 1.00 RAB9A (0.68) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29537543 1.00 RAB9A (0.68) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10734524 0.85 RAB9A (0.80) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10734520 0.85 RAB9A (0.80) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19462869 0.83 STK17B (0.74) MAPTMEN1KMT2AACHEKDM4E
SCHEMBL10912003 0.83 STK17B (0.74) MAPTMEN1KMT2AACHEKDM4E
SCHEMBL19462733 0.83 STK17B (0.89) MAPTMEN1KMT2AACHEKDM4E
SCHEMBL19499394 0.83 STK17B (0.89) MAPTMEN1KMT2AACHEKDM4E
SCHEMBL6966601 0.82 STK17B (0.74) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5579527 0.81 RAB9A (1.00) RAB9AMAPTMEN1KMT2ASMN1; SMN2

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200399238-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 RAB9A 2162/4885MAPT 3325/4885MEN1 2702/4885
US-20210053933-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 RAB9A 2162/4885MAPT 3325/4885MEN1 2702/4885
US-20190169151-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 RAB9A 2162/4885MAPT 3325/4885MEN1 2702/4885

“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.