SCHEMBL237992

SCHEMBL237992

COC(=O)c1cc(I)c(Oc2ccc(OC)cc2)c(I)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 3/20 0.47
NPBWR1 P48145 1/20 0.45
TPMT P51580 1/20 0.45
PARP10 Q53GL7 1/20 0.45
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6136142 0.90 POLB (0.44) CA1CA2KDM4EMAPTALDH1A1
SCHEMBL6135981 0.89 PCNA (0.56) CA1CA2KDM4ETPMTPOLB
SCHEMBL6135987 0.87 TSHR (0.52) CA1CA2KDM4EMAPTALDH1A1
SCHEMBL6135844 0.86 NPC1 (0.48) CA1CA2KDM4EMAPTKMT2A
SCHEMBL358548 0.85 TPMT (0.54) CA1CA2KDM4EMAPTKMT2A
SCHEMBL6135835 0.85 TPMT (0.58) CA1CA2KDM4EKMT2AMEN1
SCHEMBL4431892 0.85 MAPT (0.48) CA1CA2MAPTALDH1A1TPMT
SCHEMBL6136040 0.85 NPBWR1 (0.49) CA1CA2KDM4EMAPTKMT2A
SCHEMBL6135858 0.85 MAPT (0.47) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL6136046 0.84 PLK1 (0.60) CA1CA2ALDH1A1PARP10GAA

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 708 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US claimed
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 US claimed
EP-2331093-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES The Trustees of Columbia University in the City of New York (US) 2011-06-15 EP claimed
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-26 US claimed
WO-2011058367-A2 DIAGNOSTIC TEST FOR PREDICTING RESPONSIVENESS TO TREATMENT WITH POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITOR ASTRAZENECA AB (SE) 2011-05-19 WO claimed
US-20100279327-A1 METHOD OF TREATING DISEASES WITH PARP INHIBITORS BIPAR SCIENCES, INC. (US) 2010-11-04 US claimed
WO-2010025272-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-03-04 WO claimed
WO-2009105123-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-27 WO claimed
EP-2038654-A1 METHOD OF TREATING DISEASES WITH PARP INHIBITORS Bipar Sciences, Inc. (US) 2009-03-25 EP claimed
WO-2008147418-A1 METHOD OF TREATING DISEASES WITH PARP INHIBITORS BIPAR SCIENCES, INC. (US) 2008-12-04 WO claimed
US-6326402-B1 AROMATIC ESTER COMPOUND OCTAMER, INC. 2001-12-04 US claimed
US-6303621-B1 ADMINISTERING DIIODO THYRONINE ANALOGUE HAVING NO SIGNIFICANT HORMONAL ACTIVITY AND A VINCA ALKALOID SELECTED FROM LEUROSINE, VINCALEUKOBLASTINE, VINBLASTINE, LEUROFORMINE, LEUROSIDINE, LEUROCRISTINE, VINCRISTINE, DEOXY VINBLASTINE OCTAMER, INC. 2001-10-16 US claimed
EP-1063985-A1 BENZOATES DERIVATIVES FOR INHIBITING ANGIOGENESIS Biosource Technologies, Inc. (US) 2001-01-03 EP claimed
US-6150407-A Methods for inhibiting angiogenesis LARGE SCALE BIOLOGY CORPORATION (US) 2000-11-21 US claimed
EP-0954299-A4 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER INC (US) 2000-09-06 EP claimed
WO-2000009114-A1 METHODS FOR TREATING VIRAL INFECTIONS USING A COMPOUND CAPABLE OF INHIBITING MICROTUBULES OCTAMER, INC. (US) 2000-02-24 WO claimed
EP-0954299-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY Octamer, Inc. (US) 1999-11-10 EP claimed
WO-1999048495-A1 BENZOATES DERIVATIVES FOR INHIBITING ANGIOGENESIS BIOSOURCE TECHNOLOGIES, INC. (US) 1999-09-30 WO claimed
US-5736576-A ADMINISTERING METHYL 3,5-DIIODO-4-(4*-METHOXYPHENOXY)BENZOATE OCTAMER, INC. (US) 1998-04-07 US claimed
WO-1997046228-A1 METHOD OF TREATING MALIGNANT TUMORS WITH THYROXINE ANALOGUES HAVING NO SIGNIFICANT HORMONAL ACTIVITY OCTAMER, INC. (US) 1997-12-11 WO claimed

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-20100279327-A1 METHOD OF TREATING DISEASES WITH PARP INHIBITORS PARP3, PARP4, PARP2 CA1 2462/4885CA2 2798/4885KDM4E 1410/4885
US-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES TUBA1C, TUBB1, TOP1 CA1 2566/4885CA2 1751/4885KDM4E 4394/4885
US-20110124690-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER OR A NEUROTROPHIC DISORDER BDNF, NGF, NTRK2 CA1 977/4885CA2 2787/4885KDM4E 4722/4885

“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.