SCHEMBL2389152

SCHEMBL2389152

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.80
PTPN11 Q06124 8/20 0.80
NR0B2 Q15466 3/20 0.80
HDAC11 Q96DB2 3/20 0.64
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
RARA P10276 3/20 0.59
RARG P13631 3/20 0.59
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL2389155 1.00 RARB (0.80) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL2411473 0.91 PTPN11 (0.74) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL2411469 0.91 PTPN11 (0.74) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL2393228 0.89 PTPN11 (0.71) RARBPTPN11NR0B2HDAC11HDAC3
Adarotene SCHEMBL29462720 0.89 RARB (1.00) RARBPTPN11NR0B2HDAC11HDAC3
Adarotene SCHEMBL403528 0.89 RARB (1.00) RARBPTPN11NR0B2HDAC11HDAC3
Adarotene SCHEMBL29449480 0.89 RARB (1.00) RARBPTPN11NR0B2HDAC11HDAC3
Adarotene SCHEMBL403527 0.89 RARB (1.00) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL2391213 0.89 PTPN11 (0.77) RARBPTPN11NR0B2HDAC11HDAC3
SCHEMBL1914215 0.89 PTPN11 (1.00) RARBPTPN11NR0B2HDAC11HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
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 RARB 577/4885PTPN11 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.