SCHEMBL231885

SCHEMBL231885

COC(=O)c1cc(I)cc(I)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA12 O43570 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
KDM4E B2RXH2 5/20 0.56
XDH P47989 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.56
NFKB1 P19838 1/20 0.56
GFER P55789 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
FUT7 Q11130 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.48

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
SCHEMBL475680 0.95 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL3603403 0.87 CA1 (0.73) CA1CA2CA12CA7CA9
SCHEMBL3354749 0.87 KDM4E (0.50) CA1CA2CA12CA7CA9
SCHEMBL16925556 0.87 ATM (0.52) CA1CA2CA12CA7CA9
SCHEMBL30530249 0.87 KDM4E (0.50) CA1CA2CA12CA7CA9
SCHEMBL12993691 0.87 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL16960586 0.87 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL31401260 0.87 ATM (0.52) CA1CA2CA12CA7CA9
SCHEMBL5227070 0.86 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL2015855 0.86 CA1 (0.48) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11953829-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2024-04-09 US disclosed
US-20200192220-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2020-06-18 US disclosed
EP-2569311-B1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RES INST (US) 2016-01-13 EP disclosed
EP-2569311-B1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RES INST (US) 2016-01-13 EP disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
US-9133177-B2 Ambipolar small molecule hosts for phosphorescent guest emitters GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-15 US disclosed
EP-2474536-B1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL IND CO (JP) 2014-06-25 EP disclosed
WO-2014011477-A1 HIGH GLASS TRANSITION TEMPERATURE \"MEDIUM-SIZED\" AMBIPOLAR HOST MATERIALS GEORGIA TECH RESEARCH CORPORATION (US) 2014-01-16 WO disclosed
WO-2014011491-A1 CARBAZOLE SUBSTITUTED TRIAZOLE, TRIAZINE, AND TETRAZINE AMBIPOLAR HOST MATERIALS AND DEVICES GEORGIA TECH RESEARCH CORPORATION (US) 2014-01-16 WO disclosed
WO-2010149622-A1 AMBIPOLAR SMALL MOLECULE HOSTS FOR PHOSPHORESCENT GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-12-29 WO disclosed
EP-2234969-A2 CARBAZOLE-BASED HOLE TRANSPORT AND /OR ELECTRON BLOCKING MATERIALS AND /OR HOST POLYMER MATERIALS Georgia Tech Research Corporation (US) 2010-10-06 EP disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
WO-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
WO-2009080799-A2 CARBAZOLE-BASED HOLE TRANSPORT AND /OR ELECTRON BLOCKING MATERIALS AND /OR HOST POLYMER MATERIALS GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO disclosed
WO-2009080799-A2 CARBAZOLE-BASED HOLE TRANSPORT AND /OR ELECTRON BLOCKING MATERIALS AND /OR HOST POLYMER MATERIALS GEORGIA TECH RESEARCH CORPORATION (US) 2009-07-02 WO disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 WO disclosed
WO-2005051914-A1 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-06-09 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 (1 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 CA1 3291/4885CA2 849/4885CA12 3783/4885

“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.