SCHEMBL405278

SCHEMBL405278

O=C(O)/C=C/c1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.64
HDAC11 Q96DB2 6/20 0.54
PTPN11 Q06124 6/20 0.52
NR0B2 Q15466 3/20 0.52
HDAC7 Q8WUI4 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
HDAC1 Q13547 2/20 0.44
HDAC10 Q969S8 1/20 0.42
RARG P13631 2/20 0.42
RARA P10276 1/20 0.42
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL405279 1.00 RARB (0.64) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL8251875 0.92 RARB (0.64) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL29462723 0.92 RARB (0.64) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL3297086 0.92 RARB (0.64) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL403676 0.88 HDAC11 (0.54) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL403675 0.88 HDAC11 (0.54) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL12531294 0.85 RARB (0.47) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL405400 0.84 RARB (0.42) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL10046574 0.81 HDAC11 (0.47) RARBHDAC11PTPN11NR0B2HDAC7
SCHEMBL6543150 0.81 RARB (0.40) RARBHDAC11PTPN11NR0B2HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330200-A1 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-12-30 US claimed
EP-2101820-A2 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-09-23 EP claimed
WO-2008077772-A2 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE SPA (IT) 2008-07-03 WO claimed
US-8101793-B2 Anticarcinogenic and antimetastasis agents; leukemia or Hodgkin's disease. SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-01-24 US disclosed
US-8101793-B2 Anticarcinogenic and antimetastasis agents; leukemia or Hodgkin's disease. SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-01-24 US disclosed
US-8101793-B2 Anticarcinogenic and antimetastasis agents; leukemia or Hodgkin's disease. SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-01-24 US disclosed
US-20100330200-A1 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-12-30 US disclosed
EP-1412317-B1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES SIGMA TAU IND FARMACEUTI (IT) 2010-12-22 EP disclosed
EP-1412317-B1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES SIGMA TAU IND FARMACEUTI (IT) 2010-12-22 EP disclosed
EP-2101820-A2 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2009-09-23 EP 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-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-7449495-B2 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-11-11 US disclosed
WO-2008077772-A2 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE SPA (IT) 2008-07-03 WO 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-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-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-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-25 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 (3 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 RARB 2/4885HDAC11 741/4885PTPN11 2829/4885
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities RARA, RARB, RARG RARB 2/4885HDAC11 883/4885PTPN11 2735/4885
US-20100330200-A1 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT CXCR4, RARA, CXCL12 RARB 4/4885HDAC11 1919/4885PTPN11 3652/4885

“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.