SCHEMBL6022648

SCHEMBL6022648

Cc1cc(C=CC(=O)O)ccc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.57
PTPN11 Q06124 6/20 0.53
NR0B2 Q15466 3/20 0.53
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RARB P10826 1/20 0.49
HDAC2 Q92769 1/20 0.47
AKR1C3 P42330 2/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RECQL P46063 1/20 0.43
IKBKB O14920 1/20 0.43
RARA P10276 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6022644 1.00 HDAC11 (0.57) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL2390064 0.92 HDAC11 (0.48) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6023917 0.90 HDAC11 (0.57) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6022603 0.90 PTPN11 (0.68) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6022598 0.90 PTPN11 (0.68) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6023909 0.90 HDAC11 (0.57) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6022579 0.90 HDAC11 (0.60) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6022569 0.90 HDAC11 (0.60) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6022581 0.89 HDAC11 (0.57) HDAC11PTPN11NR0B2LMNAKDM4E
SCHEMBL6022577 0.89 HDAC11 (0.57) HDAC11PTPN11NR0B2LMNAKDM4E

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 2 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
US-20030176506-A1 Induction of apoptosis in cancer cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2003-09-18 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-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.