SCHEMBL2391204

SCHEMBL2391204

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

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 9/20 0.77
NR0B2 Q15466 3/20 0.77
RARB P10826 5/20 0.74
HDAC11 Q96DB2 3/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
RARA P10276 2/20 0.55
RARG P13631 2/20 0.55
RXRA P19793 1/20 0.52
PTPRCAP Q14761 1/20 0.48

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
SCHEMBL2391213 1.00 PTPN11 (0.77) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL2389152 0.89 RARB (0.80) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL2389155 0.89 RARB (0.80) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL29604865 0.87 PTPN11 (1.00) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL2407028 0.87 PTPN11 (0.77) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL1914215 0.87 PTPN11 (1.00) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL1914213 0.87 PTPN11 (1.00) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL2407027 0.87 PTPN11 (0.77) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL2391569 0.87 PTPN11 (0.60) PTPN11NR0B2RARBHDAC11HDAC3
SCHEMBL2390934 0.87 RARB (0.73) PTPN11NR0B2RARBHDAC11HDAC3

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 7 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-7449495-B2 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-11-11 US disclosed
US-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-24 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 (2 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-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities RARA, RARB, RXRA PTPN11 2829/4885NR0B2 89/4885RARB 2/4885
US-20030176506-A1 Induction of apoptosis in cancer cells MCL1, BAD, BCL2 PTPN11 2842/4885NR0B2 2377/4885RARB 577/4885

“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.