SCHEMBL3583349

SCHEMBL3583349

O=c1cc(O)c2cc(Cl)c3ccccc3c2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA9 Q16790 4/20 0.54
CA1 P00915 1/20 0.54
MET P08581 1/20 0.49
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2761879 0.79 MET (0.56) CA12CA9CA1METNPSR1
SCHEMBL3587194 0.76 CA12 (0.50) CA12CA9CA1METCSNK2A2
SCHEMBL10793740 0.76 MAOA (0.49) CA12CA9CA1METNPSR1
SCHEMBL2761855 0.75 KMT2A (0.66) CA12CA9CA1METLMNA
SCHEMBL3087727 0.74 MET (0.49) CA12CA9CA1METCSNK2A2
SCHEMBL3585887 0.73 MET (0.53) CA12CA9CA1METLMNA
SCHEMBL28480556 0.73 MET (0.61) CA12CA9CA1METLMNA
SCHEMBL30693881 0.73 MET (0.61) CA12CA9CA1METLMNA
SCHEMBL3575287 0.72 MET (0.56) CA12CA9CA1METLMNA
SCHEMBL5084867 0.71 PIM1 (0.51) CA12CA9CA1METLMNA

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 CA12 3619/4885CA9 2986/4885CA1 4290/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 CA12 3791/4885CA9 3248/4885CA1 4380/4885

“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.