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SCHEMBL3398957

SCHEMBL3398957

COc1cc(O)c2c(=O)oc(C[C@H](O)C(=O)O)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ EED O75530 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ G6PD P11413 1/20 0.42
▸ CBR1 P16152 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAOA P21397 4/20 0.40
▸ ANTXR2 P58335 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL29769302 1.00 MEN1 (0.42) MEN1SLC22A2SLC22A1EEDALOX5
Diaporthin SCHEMBL29058565 0.86 MAOA (0.42) MEN1SLC22A2SLC22A1EEDALOX5
Diaporthin SCHEMBL30553770 0.86 MAOA (0.42) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL29769299 0.84 MAOA (0.41) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL6352501 0.82 RECQL (0.45) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL6345040 0.80 MAOA (0.46) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL29361626 0.80 MAOA (0.46) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL31086523 0.79 MAOA (0.45) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL6946660 0.79 MAOA (0.45) MEN1SLC22A2SLC22A1EEDALOX5
SCHEMBL3191297 0.77 MEN1 (0.45) MEN1SLC22A2SLC22A1EEDALOX5

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-8188306-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2012-05-29 — — US disclosed
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2010-04-22 — — US disclosed
US-7605288-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2009-10-20 — — US disclosed
US-20070197787-A1 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS 2007-08-23 — — US disclosed
US-7208630-B2 Heat shock protein 90 inhibitors UNIVERSITY OF KANSAS (US) 2007-04-24 — — US disclosed
WO-2006047740-A2 HEAT SHOCK PROTEIN 90 INHIBITORS UNIVERSITY OF KANSAS (US) 2006-05-04 — — WO disclosed
US-20060089495-A1 Heat shock protein 90 inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 — — 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-20060089495-A1 Heat shock protein 90 inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 MEN1 4694/4885SLC22A2 3080/4885SLC22A1 2788/4885
US-20070197787-A1 Heat shock protein 90 inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 MEN1 4694/4885SLC22A2 3080/4885SLC22A1 2788/4885
US-20100099865-A1 HEAT SHOCK PROTEIN 90 INHIBITORS HSP90AB2P, HSPH1, HSP90AA1 MEN1 4713/4885SLC22A2 2945/4885SLC22A1 2607/4885

“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.