SCHEMBL3585887

SCHEMBL3585887

CCc1cccc2c1ccc1c(O)cc(=O)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.53
MCL1 Q07820 4/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B3 P37058 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
DAO P14920 1/20 0.43
DDO Q99489 1/20 0.43
MAOB P27338 2/20 0.43
ERAP1 Q9NZ08 2/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MGAM O43451 1/20 0.42

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
SCHEMBL5344800 0.89 MET (0.53) METMCL1CA12CA1CA9
SCHEMBL3575287 0.81 MET (0.56) METMCL1CA12CA1CA9
SCHEMBL5344949 0.78 MET (0.51) METMCL1CA12CA1CA9
SCHEMBL30693881 0.77 MET (0.61) METMCL1CA12CA1CA9
SCHEMBL28480556 0.77 MET (0.61) METMCL1CA12CA1CA9
SCHEMBL10790754 0.76 MCL1 (0.54) MCL1HSD17B3ALDH1A1KMT2AMAPT
SCHEMBL2761879 0.76 MET (0.56) METMCL1CA12CA1CA9
SCHEMBL2761835 0.76 MET (0.56) METMCL1CA12CA1CA9
SCHEMBL2761855 0.74 KMT2A (0.66) METMCL1CA12CA1CA9
SCHEMBL15842553 0.74 KDM4E (0.53) MCL1HSD17B3ALDH1A1MAPTMAOB

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-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-07 US disclosed
EP-1722779-A4 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS UNIV NORTH CAROLINA (US) 2009-05-06 EP 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
EP-1722779-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS The University of North Carolina at Chapel Hill (US) 2006-11-22 EP 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
WO-2005087225-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 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-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS BRCA1, CYP19A1, HUNK MET 2873/4885MCL1 2059/4885CA12 3619/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 MET 2482/4885MCL1 2182/4885CA12 3791/4885

“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.