SCHEMBL6022901

SCHEMBL6022901

COc1c(C=CC(=O)O)cc(Cl)cc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.47
PTPN11 Q06124 4/20 0.47
NR0B2 Q15466 2/20 0.47
PTGER4 P35408 6/20 0.45
PTGER2 P43116 6/20 0.45
PTGER3 P43115 5/20 0.45
PTGER1 P34995 3/20 0.45
HDAC2 Q92769 1/20 0.42
S1PR1 P21453 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RARB P10826 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
RARA P10276 1/20 0.40
HSPD1 P10809 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
SCHEMBL6022897 1.00 HDAC11 (0.47) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL6022621 0.93 HDAC11 (0.47) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL6022615 0.93 HDAC11 (0.47) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2390735 0.92 HDAC11 (0.40) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2393218 0.87 S1PR1 (0.41) HDAC11PTPN11NR0B2PTGER1HDAC2
SCHEMBL2393212 0.86 HDAC11 (0.45) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL2390948 0.86 HDAC11 (0.40) HDAC11PTPN11NR0B2PTGER4PTGER2
SCHEMBL6022689 0.85 HDAC11 (0.55) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL6022685 0.85 HDAC11 (0.55) HDAC11PTGER4PTGER2PTGER3PTGER1
SCHEMBL2406297 0.84 PTPN11 (0.64) HDAC11PTPN11NR0B2HDAC2HDAC7

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-7053071-B2 For therapy of leukemia or other forms of cancer or for treating disease conditions caused by apoptosis of cells THE BURNHAM INSTITUTE (US) 2006-05-30 US disclosed
EP-1456165-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS The Burnham Institute (US) 2004-09-15 EP disclosed
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 US disclosed
WO-2003048101-A1 INDUCTION OF APOPTOSIS IN CANCER CELLS THE BURNHAM INSTITUTE (US) 2003-06-12 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 (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-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 HDAC11 347/4885PTPN11 2842/4885NR0B2 2377/4885

“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.