SCHEMBL3584746

SCHEMBL3584746

Cc1coc2c1c(=O)oc1c3ccccc3ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.59
IKBKB O14920 1/20 0.54
KMT2A Q03164 3/20 0.54
ARSA P15289 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25C P30307 1/20 0.49
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
PTPN1 P18031 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 3/20 0.42
ESR1 P03372 1/20 0.42
MAPT P10636 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.41

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
SCHEMBL31237486 0.84 CES1 (0.78) CES1IKBKBARSACDC25ACDC25C
SCHEMBL12115014 0.84 CES1 (0.78) CES1IKBKBARSACDC25ACDC25C
SCHEMBL3580678 0.79 CES1 (0.59) CES1IKBKBKDM4EHPGDPOLB
SCHEMBL3584662 0.77 CES1 (0.53) CES1IKBKBKMT2AKDM4EHPGD
SCHEMBL7915211 0.76 KDM4E (0.61) IKBKBKMT2AARSACDC25ACDC25C
SCHEMBL3585460 0.75 CES1 (0.51) CES1KMT2AKDM4EPOLBMEN1
SCHEMBL17384095 0.74 ARSA (0.64) IKBKBKMT2AARSACDC25ACDC25C
SCHEMBL13167561 0.74 CES1 (0.44) CES1IKBKBKMT2AKDM4EHPGD
SCHEMBL3081576 0.72 ARSA (0.56) IKBKBKMT2AARSACDC25ACDC25C
SCHEMBL3584109 0.72 ALDH1A1 (0.49) IKBKBKMT2AARSACDC25ACDC25C

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-7795299-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-14 US disclosed
US-7795299-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-14 US disclosed
US-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-07 US disclosed
US-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-07 US disclosed
US-7495026-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-02-24 US disclosed
US-7495026-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-02-24 US disclosed
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 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 (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-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS BRCA1, CYP19A1, HUNK CES1 2230/4885IKBKB 1201/4885KMT2A 4270/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 CES1 1629/4885IKBKB 1502/4885KMT2A 4424/4885

“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.