SCHEMBL13167561

SCHEMBL13167561

Cc1coc2c1c(=O)sc1c3ccccc3ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.44
KMT2A Q03164 2/20 0.41
IKBKB O14920 1/20 0.40
CYP1A1 P04798 5/20 0.40
CYP1B1 Q16678 5/20 0.40
POLB P06746 2/20 0.40
PTPN1 P18031 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 4/20 0.36
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL3584746 0.74 CES1 (0.59) CES1KMT2AIKBKBCYP1A1CYP1B1
SCHEMBL13167563 0.74 CYP1A1 (0.43) KMT2AIKBKBCYP1A1CYP1B1POLB
SCHEMBL18810719 0.67 ALDH1A1 (0.52) CYP1A1CYP1B1CYP1A2HPGDL3MBTL1
SCHEMBL19786593 0.66 CYP1A2 (0.44) KMT2ACYP1A1CYP1B1CYP1A2HPGD
SCHEMBL14882902 0.65 CYP2A6 (0.54) KMT2ACYP1A1CYP1B1MEN1CYP1A2
SCHEMBL9109729 0.65 POLB (0.53) KMT2APOLBPTPN1MEN1CYP1A2
SCHEMBL13085236 0.65 HPRT1 (0.57) CYP1A1CYP1B1CYP1A2HPGDL3MBTL1
SCHEMBL30154374 0.65 HPRT1 (0.57) CYP1A1CYP1B1CYP1A2HPGDL3MBTL1
SCHEMBL18810717 0.65 HSD17B10 (0.46) KMT2ACYP1A1CYP1B1CYP1A2HPGD
SCHEMBL1616082 0.64 HPRT1 (0.50) CYP1A1CYP1B1CYP1A2HPGDL3MBTL1

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CES1 2230/4885KMT2A 4270/4885IKBKB 1201/4885

“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.