SCHEMBL403676

SCHEMBL403676

COC(=O)C=Cc1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 6/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC7 Q8WUI4 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RARB P10826 3/20 0.49
NR1H4 Q96RI1 3/20 0.42
HDAC10 Q969S8 1/20 0.42
PTPN11 Q06124 4/20 0.41
NR0B2 Q15466 2/20 0.40
ESR1 P03372 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL403675 1.00 HDAC11 (0.54) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL29920756 0.92 HDAC11 (0.54) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405279 0.88 RARB (0.64) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405278 0.88 RARB (0.64) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL10046574 0.86 HDAC11 (0.47) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL405400 0.81 RARB (0.42) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL404023 0.80 HDAC11 (0.76) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL30015150 0.80 HDAC11 (0.76) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL404024 0.80 HDAC11 (0.76) HDAC11HDAC2HDAC7HDAC8HDAC6
SCHEMBL3292201 0.80 HDAC6 (0.66) HDAC11HDAC2HDAC7HDAC8HDAC6

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 13 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-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-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
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-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-25 US disclosed
EP-1412317-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-28 EP disclosed
WO-2003011808-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMORAL AND PROAPOPTOTIC ACTIVITIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 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 (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 HDAC11 741/4885HDAC2 2349/4885HDAC7 813/4885
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities RARA, RARB, RARG HDAC11 883/4885HDAC2 2621/4885HDAC7 1007/4885
US-20100330200-A1 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT CXCR4, RARA, CXCL12 HDAC11 1919/4885HDAC2 3081/4885HDAC7 1745/4885

“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.