SCHEMBL11477205

SCHEMBL11477205

O=C1Cc2ccc(O)c(O)c2O1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.43
MAPKAPK2 P49137 1/20 0.41
AKR1B1 P15121 1/20 0.41
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
SMAD3 P84022 1/20 0.35
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
NUDT1 P36639 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34

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
SCHEMBL28588513 0.82 PSMB5 (0.42) PSMB5GNG2GNB1
SCHEMBL1645904 0.78 MAPKAPK2 (0.42) PSMB5MAPKAPK2GNG2GNB1SMAD3
SCHEMBL17090849 0.77 CA12 (0.41) AKR1B1
SCHEMBL5539483 0.76 MEN1 (0.47) MAPKAPK2AKR1B1
SCHEMBL20734708 0.74 AKR1B1 (0.45) AKR1B1
SCHEMBL5795754 0.68 MAOA (0.33)
SCHEMBL32673162 0.68 AKR1B1 (0.41) AKR1B1
SCHEMBL6615687 0.67 MAPKAPK2 (0.39) MAPKAPK2
SCHEMBL6616962 0.66 MAPKAPK2 (0.35) MAPKAPK2
SCHEMBL11120069 0.66 AKR1B1 (0.40) AKR1B1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169151-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2019-06-06 US claimed
EP-3442520-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2019-02-20 EP claimed
WO-2017180644-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2017-10-19 WO claimed
US-20160287554-A1 Small Molecule Metal-Activated Protein Inhibition UNIVERSITY OF SOUTH FLORIDA (US) 2016-10-06 US claimed
US-RE30376-E 8-Methoxypsoralen THOMAS C. ELDER, INC. (US) 1980-08-19 US claimed
US-RE30377-E Process for making ω-chloro-2,3,4-trihydroxyacetophenone THOMAS C. ELDER, INC. (US) 1980-08-19 US claimed
US-4129575-A 8-Methoxypsoralen THOMAS C. ELDER, INC. (US) 1978-12-12 US claimed
US-4129576-A Process for making ω-chloro-2,3,4-trihydroxyacetophenone THOMAS C. ELDER, INC. (US) 1978-12-12 US claimed
US-11286245-B2 Therapeutic aurones Middle Tennessee State University (US) 2022-03-29 US disclosed
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-20190169151-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2019-06-06 US disclosed
EP-3442520-A1 THERAPEUTIC AURONES Middle Tennessee State University (US) 2019-02-20 EP disclosed
US-20160287554-A1 Small Molecule Metal-Activated Protein Inhibition UNIVERSITY OF SOUTH FLORIDA (US) 2016-10-06 US disclosed
US-20160287554-A1 Small Molecule Metal-Activated Protein Inhibition UNIVERSITY OF SOUTH FLORIDA (US) 2016-10-06 US disclosed
US-RE30376-E 8-Methoxypsoralen THOMAS C. ELDER, INC. (US) 1980-08-19 US disclosed
US-RE30377-E Process for making ω-chloro-2,3,4-trihydroxyacetophenone THOMAS C. ELDER, INC. (US) 1980-08-19 US disclosed
US-4129575-A 8-Methoxypsoralen THOMAS C. ELDER, INC. (US) 1978-12-12 US disclosed
US-4129576-A Process for making ω-chloro-2,3,4-trihydroxyacetophenone THOMAS C. ELDER, INC. (US) 1978-12-12 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 (6 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 PSMB5 1433/4885MAPKAPK2 3296/4885AKR1B1 2808/4885
US-20200399238-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 PSMB5 1433/4885MAPKAPK2 3296/4885AKR1B1 2808/4885
US-11286245-B2 Therapeutic aurones AURKA, PIGS, PRF1 PSMB5 1433/4885MAPKAPK2 3296/4885AKR1B1 2808/4885
US-20210053933-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 PSMB5 1433/4885MAPKAPK2 3296/4885AKR1B1 2808/4885
US-20190169151-A1 THERAPEUTIC AURONES AURKA, PIGS, PRF1 PSMB5 1433/4885MAPKAPK2 3296/4885AKR1B1 2808/4885
US-20160287554-A1 Small Molecule Metal-Activated Protein Inhibition PSMB6, PSMD6, PSMA6 PSMB5 31/4885MAPKAPK2 1333/4885AKR1B1 4088/4885

“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.