SCHEMBL3581544

SCHEMBL3581544

CCc1cccc2c(OC)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.45
IDO1 P14902 2/20 0.44
SLC2A1 P11166 2/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 2/20 0.42
EP300 Q09472 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 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
SCHEMBL8429646 0.88 CYP2C9 (0.57) ATMMEN1KMT2ACYP2C9HIF1A
SCHEMBL7838089 0.86 MEN1 (0.48) ATMMEN1KMT2ACYP2C9HIF1A
SCHEMBL29071977 0.85 L3MBTL1 (0.59) MEN1KMT2AL3MBTL1CNR2KDM4E
SCHEMBL13486908 0.83 MEN1 (0.49) ATMMEN1KMT2ACYP2C9HIF1A
SCHEMBL3238496 0.82 GABRA1 (0.57) LMNAHTT
SCHEMBL31116611 0.82 CA1 (0.61) MEN1KMT2AL3MBTL1IDO1KDM4E
SCHEMBL357145 0.82 CA1 (0.61) MEN1KMT2AL3MBTL1IDO1KDM4E
SCHEMBL11673960 0.82 ALOX5 (0.54) ATMMEN1KMT2ACYP2C9HIF1A
SCHEMBL17187879 0.82 CYP2C9 (0.47) ATMMEN1KMT2ACYP2C9HIF1A
SCHEMBL2986215 0.82 TAAR1 (0.50) ATMMEN1KMT2ACYP2C9HIF1A

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-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
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
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 ATM 784/4885MEN1 2665/4885KMT2A 4270/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 ATM 991/4885MEN1 2932/4885KMT2A 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.