SCHEMBL404485

SCHEMBL404485

COC(=O)C=Cc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.89
CA7 P43166 6/20 0.89
CA9 Q16790 6/20 0.89
CA14 Q9ULX7 6/20 0.89
CA1 P00915 5/20 0.89
CA2 P00918 4/20 0.89
TYR P14679 3/20 0.89
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
PTPN1 P18031 1/20 0.61
AKR1B10 O60218 4/20 0.60

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
SCHEMBL404484 1.00 CA12 (0.89) CA12CA7CA9CA14CA1
Methyl P-Hydroxycinnamate SCHEMBL895938 0.94 CA12 (1.00) CA12CA7CA9CA14CA1
Methyl P-Hydroxycinnamate SCHEMBL28386655 0.94 CA12 (1.00) CA12CA7CA9CA14CA1
Methyl P-Hydroxycinnamate SCHEMBL547438 0.94 CA12 (1.00) CA12CA7CA9CA14CA1
Methyl P-Hydroxycinnamate SCHEMBL30463538 0.94 CA12 (1.00) CA12CA7CA9CA14CA1
Methyl P-Hydroxycinnamate SCHEMBL28876782 0.91 CA12 (0.93) CA12CA7CA9CA14CA1
SCHEMBL15014368 0.91 CA12 (0.73) CA12CA7CA9CA14CA1
SCHEMBL12909029 0.87 CA2 (0.68) CA12CA7CA9CA14CA1
SCHEMBL71224 0.87 CA12 (0.84) CA12CA7CA9CA14CA1
SCHEMBL5057418 0.87 CA12 (0.84) CA12CA7CA9CA14CA1

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 CA12 2330/4885CA7 1539/4885CA9 1800/4885
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities RARA, RARB, RARG CA12 2450/4885CA7 1692/4885CA9 1917/4885
US-20100330200-A1 COMBINATION OF A RETINOID AND A PLATINUM ANTICANCER AGENT CXCR4, RARA, CXCL12 CA12 311/4885CA7 480/4885CA9 485/4885

“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.