SCHEMBL3575287

SCHEMBL3575287

Cc1cccc2c1ccc1c(O)cc(=O)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.56
GAA P10253 3/20 0.51
CYP3A4 P08684 3/20 0.51
MCL1 Q07820 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAOB P27338 2/20 0.51
MGAM O43451 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
SI P14410 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 3/20 0.49
ESR2 Q92731 2/20 0.49
CYP1B1 Q16678 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL2761835 0.88 MET (0.56) METGAACYP3A4MCL1KDM4E
SCHEMBL3585887 0.81 MET (0.53) METGAACYP3A4MCL1KDM4E
SCHEMBL4386143 0.81 MAOB (0.64) GAACYP3A4MCL1KDM4EALDH1A1
SCHEMBL5344949 0.80 MET (0.51) METMCL1KDM4EALDH1A1MAPT
SCHEMBL30693881 0.79 MET (0.61) METGAACYP3A4MCL1KDM4E
SCHEMBL28480556 0.79 MET (0.61) METGAACYP3A4MCL1KDM4E
SCHEMBL5346589 0.78 MAOB (0.65) METGAACYP3A4MCL1KDM4E
SCHEMBL2761855 0.77 KMT2A (0.66) METCYP3A4MCL1KDM4EALDH1A1
SCHEMBL5345045 0.76 MAOB (0.77) METGAACYP3A4MCL1KDM4E
SCHEMBL5344800 0.75 MET (0.53) METGAACYP3A4MCL1KDM4E

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-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-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-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-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 MET 2873/4885GAA 1586/4885CYP3A4 2570/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 MET 2482/4885GAA 1814/4885CYP3A4 1264/4885

“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.