SCHEMBL11939511

SCHEMBL11939511

COc1cc2c(cc1OC)C(C(=O)c1ccc3c(c1OC)C=CC(C)(C)O3)CCO2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 14/20 0.56
▸ HSP90AA1 P07900 5/20 0.56
▸ TP53 P04637 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ODC1 P11926 1/20 0.48

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
SCHEMBL14134371 0.89 HIF1A (0.54) HIF1AHSP90AA1
SCHEMBL12343777 0.82 PTGDR2 (0.38) HIF1A
SCHEMBL16867638 0.82 COXFA4 (0.52) HIF1AHSP90AA1TP53CYP3A4MAPT
SCHEMBL16694297 0.82 COXFA4 (0.52) HIF1AHSP90AA1TP53CYP3A4MAPT
SCHEMBL16865490 0.76 COXFA4 (0.49) HIF1AHSP90AA1TP53CYP3A4MAPT
SCHEMBL16865546 0.76 COXFA4 (0.49) HIF1AHSP90AA1TP53CYP3A4MAPT
SCHEMBL16867636 0.74 HIF1A (0.55) HIF1AHSP90AA1
SCHEMBL21765950 0.73 HIF1A (0.67) HIF1AHSP90AA1
SCHEMBL21752804 0.73 HIF1A (0.70) HIF1AHSP90AA1
SCHEMBL30860405 0.73 HIF1A (0.70) HIF1AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 — — US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 — — US disclosed
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 — — EP disclosed
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 — — EP disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 — — US disclosed
WO-2008079460-A2 TYROSINE KINASE INHIBITORS FOR PREVENTION OR TREATMENT OF INFECTION EMORY UNIVERSITY (US) 2008-07-03 — — WO 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 (2 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 HIF1A 980/4885HSP90AA1 625/4885TP53 853/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 HIF1A 980/4885HSP90AA1 625/4885TP53 853/4885

“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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