SCHEMBL4121507

SCHEMBL4121507

O=C1C(=O)c2c(ccc3ccccc23)C2=C1CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.53
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
CES1 P23141 4/20 0.38
KDM4E B2RXH2 3/20 0.36
CYP19A1 P11511 2/20 0.36
HCRTR1 O43613 1/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HIF1A Q16665 2/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CES2 O00748 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL19230419 0.77 DNMT1 (0.83) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL16144677 0.75 DNMT1 (0.80) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3327381 0.74 DNMT1 (0.50) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3331813 0.74 DNMT1 (0.50) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5940303 0.74 MEN1 (0.54) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7122517 0.71 DNMT1 (0.73) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2175783 0.70 DNMT1 (0.92) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1055754 0.70 DNMT1 (1.00) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL31174009 0.70 DNMT1 (1.00) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29440308 0.70 DNMT1 (0.92) DNMT1ALDH1A1MEN1KMT2AMAPT

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-20150335610-A1 PDK4 INHIBITOR AND USE THEREOF THE UNIVERSITY OF TOKUSHIMA (JP) 2015-11-26 US disclosed
US-8513227-B2 Inhibition of inflammatory cytokine production with tanshinones THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2013-08-20 US disclosed
EP-1981489-B1 INHIBITION OF INFLAMMATORY CYTOKINE PRODUCTION WITH TANSHINONES THE FEINSTEIN INST MEDICAL RES (US) 2013-05-01 EP disclosed
US-20090221542-A1 Inhibition of Inflammatory Cytokine Production With Tanshinones THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2009-09-03 US disclosed
EP-1981489-A2 INHIBITION OF INFLAMMATORY CYTOKINE PRODUCTION WITH TANSHINONES The Feinstein Institute for Medical Research (US) 2008-10-22 EP disclosed
WO-2007084419-A2 INHIBITION OF INFLAMMATORY CYTOKINE PRODUCTION WITH TANSHINONES THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2007-07-26 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 (1 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-20150335610-A1 PDK4 INHIBITOR AND USE THEREOF PDK4, PDK3, PDK2 DNMT1 4795/4885ALDH1A1 152/4885MEN1 3635/4885

“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.