SCHEMBL6022883

SCHEMBL6022883

O=C(O)/C=C/c1ccc(F)c(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.59
NR0B2 Q15466 2/20 0.59
HDAC11 Q96DB2 4/20 0.57
RARB P10826 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
AKR1C3 P42330 6/20 0.45
HDAC2 Q92769 1/20 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
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL6022887 1.00 PTPN11 (0.59) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL6022855 0.90 PTPN11 (0.58) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL6022849 0.90 PTPN11 (0.58) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL2391857 0.90 PTPN11 (0.48) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL6023917 0.90 HDAC11 (0.57) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL6023909 0.90 HDAC11 (0.57) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL2391031 0.89 HDAC11 (0.56) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL6022648 0.88 HDAC11 (0.57) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL6022569 0.88 HDAC11 (0.60) PTPN11NR0B2HDAC11RARBKDM4E
SCHEMBL6022603 0.88 PTPN11 (0.68) PTPN11NR0B2HDAC11RARBKDM4E

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 PTPN11 2842/4885NR0B2 2377/4885HDAC11 347/4885

“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.