SCHEMBL3585903

SCHEMBL3585903

Cc1cccc2c1ccc1c3occc3c(=O)oc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.48
ESR2 Q92731 3/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 1/20 0.41
ELANE P08246 5/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.38
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
CES2 O00748 1/20 0.38
KDM1A O60341 1/20 0.38
EED O75530 1/20 0.38
MAPT P10636 1/20 0.38
PTPN6 P29350 1/20 0.38
BLM P54132 1/20 0.38
PTPN11 Q06124 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38

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
SCHEMBL3585905 0.82 ALDH1A1 (0.38) ESR2CYP1A2ELANEALDH1A1CYP3A4
SCHEMBL3584109 0.78 ALDH1A1 (0.49) CYP1A2ALDH1A1CYP3A4ALOX15POLB
SCHEMBL31237486 0.77 CES1 (0.78) CES1ESR2CYP1A2CYP2A6ELANE
SCHEMBL12115014 0.77 CES1 (0.78) CES1ESR2CYP1A2CYP2A6ELANE
SCHEMBL24534291 0.76 CYP1A2 (0.54) CES1ESR2CYP1A2CYP2A6ELANE
SCHEMBL3579721 0.72 LMNA (0.41) ESR2CYP1A2CYP2A6ELANEALDH1A1
SCHEMBL3578751 0.72 ALDH1A1 (0.48) ESR2CYP1A2ALDH1A1CYP3A4ALOX15
SCHEMBL17637955 0.71 ESR2 (0.59) ESR2CYP1A2ELANEALDH1A1ALOX15
SCHEMBL21555687 0.69 MAOA (0.41) CYP1A2CYP2A6ELANEALDH1A1CYP3A4
SCHEMBL3584503 0.68 CES1 (0.78) CES1ESR2CYP1A2CYP2A6ELANE

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 4 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
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 CES1 2230/4885ESR2 28/4885CYP1A2 1678/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 CES1 1629/4885ESR2 54/4885CYP1A2 906/4885

“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.