SCHEMBL12115014

SCHEMBL12115014

Cc1cccc2c1ccc1c3occ(C)c3c(=O)oc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.78
ESR2 Q92731 8/20 0.50
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
CES2 O00748 1/20 0.43
KDM1A O60341 1/20 0.43
EED O75530 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTPN6 P29350 1/20 0.43
BLM P54132 1/20 0.43
PTPN11 Q06124 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
HIF1A Q16665 1/20 0.43
NSD1 Q96L73 1/20 0.43
EPAS1 Q99814 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 1/20 0.39

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 1.00 CES1 (0.78) CES1ESR2BCHEACHECES2
SCHEMBL3580678 0.86 CES1 (0.59) CES1ESR2BCHEACHEPOLB
SCHEMBL3584746 0.84 CES1 (0.59) CES1ESR2BCHEACHEPOLB
SCHEMBL3584503 0.82 CES1 (0.78) CES1ESR2BCHEACHECES2
SCHEMBL3584662 0.78 CES1 (0.53) CES1ESR2BCHEACHEESR1
SCHEMBL3585903 0.77 CES1 (0.48) CES1ESR2BCHEACHECES2
SCHEMBL3585460 0.76 CES1 (0.51) CES1ESR2BCHEACHEPOLB
SCHEMBL13286304 0.71 CES1 (0.49) CES1ESR2BCHEACHEPOLB
SCHEMBL16143706 0.69 CES1 (0.49) CES1ESR2CES2KDM1AEED
SCHEMBL29314362 0.68 CES1 (0.55) CES1ESR2BCHEACHECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275707-A1 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS LEE KUO-HSIUNG 2011-11-10 US disclosed
US-20110275707-A1 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS LEE KUO-HSIUNG 2011-11-10 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-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
WO-2010080414-A2 SUBSTITUTED FNO (2-[FURAN-2-YL] NAPHTHALEN-1-OL) DERIVATIVES AS ANTI-CANCER AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-07-15 WO disclosed
WO-2010080415-A2 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-07-15 WO 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-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES SAVIPU PHARMACEUTICALS (US) 2007-09-06 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-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES NFKBIA, EDNRA, EDNRB CES1 1756/4885ESR2 122/4885BCHE 4703/4885
US-20110275707-A1 SUBSTITUTED AFPO (6-ARYL-4H-FURO[3,2-C]PYRAN-4-ONE) DERIVATIVES AS ANTI-CANCER AGENTS TP53, FOLR1, THPO CES1 1786/4885ESR2 798/4885BCHE 4565/4885
US-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS BRCA1, CYP19A1, HUNK CES1 2230/4885ESR2 28/4885BCHE 2796/4885

“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.