SCHEMBL405400

SCHEMBL405400

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.42
HDAC11 Q96DB2 6/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 2/20 0.37
RARG P13631 5/20 0.36
RARA P10276 4/20 0.35
PTPN11 Q06124 3/20 0.35
NR0B2 Q15466 2/20 0.35
DYRK3 O43781 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL5828810 0.90 RARB (0.44) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL6449246 0.85 ALDH1A1 (0.35) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL6543153 0.85 RARB (0.40) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL6543150 0.85 RARB (0.40) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL405279 0.84 RARB (0.64) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL405278 0.84 RARB (0.64) RARBHDAC11HDAC7HDAC8HDAC6
SCHEMBL6620633 0.84 RARB (0.31) RARBALDH1A1HSD17B10TDP1
SCHEMBL5828590 0.82 PTPN11 (0.54) TDP1PTPN11DYRK3CLK1CLK2
SCHEMBL5828587 0.82 PTPN11 (0.54) TDP1PTPN11DYRK3CLK1CLK2
SCHEMBL403676 0.81 HDAC11 (0.54) RARBHDAC11HDAC7HDAC8HDAC6

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 29 patents — showing the first 20. 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-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-1421061-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA Incyte San Diego Incorporated (US) 2004-05-26 EP 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
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 WO 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
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (4 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-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 RARB 1344/4885HDAC11 1128/4885HDAC7 1221/4885
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR RARB 1465/4885HDAC11 48/4885HDAC7 249/4885
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities RARA, RARB, RARG RARB 2/4885HDAC11 883/4885HDAC7 1007/4885
US-20100330200-A1 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT CXCR4, RARA, CXCL12 RARB 4/4885HDAC11 1919/4885HDAC7 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.