SCHEMBL21082590

SCHEMBL21082590

O=C1/C(=C/C=C/c2ccccc2)Oc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 7/20 0.66
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ USP2 O75604 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ PLIN1 O60240 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ PLIN5 Q00G26 1/20 0.61
▸ ABHD5 Q8WTS1 1/20 0.61
▸ PIK3C3 Q8NEB9 1/20 0.60
▸ ELANE P08246 4/20 0.51
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC4 P56524 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51

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
SCHEMBL7355364 0.83 PIK3C3 (0.65) STK17BMEN1KMT2AMAPK1USP2
(Z)-Aurone SCHEMBL31266594 0.80 STK17B (1.00) STK17BMEN1KMT2AMAPK1ELANE
(Z)-Aurone SCHEMBL29935711 0.80 STK17B (1.00) STK17BMEN1KMT2AMAPK1ELANE
(Z)-Aurone SCHEMBL305101 0.80 STK17B (1.00) STK17BMEN1KMT2AMAPK1ELANE
(Z)-Aurone SCHEMBL13971324 0.80 STK17B (1.00) STK17BMEN1KMT2AMAPK1ELANE
(Z)-Aurone SCHEMBL305100 0.80 STK17B (1.00) STK17BMEN1KMT2AMAPK1ELANE
SCHEMBL22827822 0.76 STK17B (0.59) STK17BMEN1KMT2AMAPK1ELANE
SCHEMBL19462733 0.74 STK17B (0.89) STK17BMEN1KMT2AMAPK1MAPT
SCHEMBL19499394 0.74 STK17B (0.89) STK17BMEN1KMT2AMAPK1MAPT
SCHEMBL25843205 0.74 MAOB (0.68) MEN1KMT2AMAPTLMNAMAOA

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 STK17B 1615/4885MEN1 2702/4885KMT2A 2551/4885
US-20210053933-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 STK17B 1615/4885MEN1 2702/4885KMT2A 2551/4885
US-20190169151-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 STK17B 1615/4885MEN1 2702/4885KMT2A 2551/4885

“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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