SCHEMBL3578751

SCHEMBL3578751

COc1cc2c3occc3c(=O)oc2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
CYP3A4 P08684 4/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 4/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 3/20 0.42
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 3/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL3579721 0.78 LMNA (0.41) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL3585460 0.77 CES1 (0.51) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL3585903 0.72 CES1 (0.48) ALDH1A1KDM4ECYP3A4MAPTHPGD
SCHEMBL3584109 0.71 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4MAPTHPGD
SCHEMBL3587194 0.71 CA12 (0.50) ALDH1A1KDM4ECYP3A4MAPTHPGD
SCHEMBL22655392 0.70 NPC1 (0.40) ALDH1A1KDM4ECYP3A4MAPTHPGD
SCHEMBL22655416 0.70 NPC1 (0.40) ALDH1A1KDM4ECYP3A4MAPTHPGD
SCHEMBL9261949 0.70 MEN1 (0.54) ALDH1A1KDM4ECYP3A4MAPTHPGD
SCHEMBL3585905 0.70 ALDH1A1 (0.38) ALDH1A1KDM4ECYP3A4HPGDLMNA
SCHEMBL13924666 0.69 MAOA (0.55) ALDH1A1KDM4ECYP3A4MAPTHPGD

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 ALDH1A1 1537/4885KDM4E 3729/4885CYP3A4 2570/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 ALDH1A1 1521/4885KDM4E 3932/4885CYP3A4 1264/4885

“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.