SCHEMBL4796676

SCHEMBL4796676

COc1ccc2c(C=O)c(C)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 7/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
MAPT P10636 5/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
POLB P06746 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
STAT1 P42224 1/20 0.51
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
ESR1 P03372 1/20 0.49
APEX1 P27695 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ESR2 Q92731 1/20 0.49

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
SCHEMBL14176730 0.78 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8074385 0.78 MAPT (0.63) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2128878 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL9160809 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL22268506 0.75 KDR (0.67)
SCHEMBL7097279 0.74 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT
Hymecromone Methyl Ether SCHEMBL314248 0.73 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
Hymecromone Methyl Ether SCHEMBL31103478 0.73 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL11297434 0.73 MAPK1 (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL1394741 0.73 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101133056-B Antitumor compounds NAT HEALTH RESEARCH INSTITUTES 2010-12-01 CN disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
CN-101133056-A Antitumor compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2008-02-27 CN disclosed
EP-1838711-A2 ANTI-TUMOR COMPOUNDS National Health Research Institutes (TW) 2007-10-03 EP disclosed
WO-2006074041-A2 ANTI-TUMOR COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-13 WO disclosed
US-20060148801-A1 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-06 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-20060148801-A1 Anti-tumor compounds TUBB1, TUBB3, TUBB ALDH1A1 2627/4885KDM4E 2204/4885HPGD 2405/4885

“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.