SCHEMBL577913

SCHEMBL577913

Fc1cc(CI)cc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
MAOB P27338 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL2089547 0.77 CES2 (0.48) CES2CES1CA12CA1CA2
SCHEMBL16105773 0.75 CES2 (0.39) CES2CES1CA12CA1CA2
SCHEMBL16105658 0.75 CES2 (0.39) CES2CES1CA12CA1CA2
SCHEMBL5442950 0.73 ALDH1A1 (0.30)
SCHEMBL18475171 0.73 IDO1 (0.46) CES2CES1CA12CA1
SCHEMBL1890659 0.73 CES2 (0.38) CES2CES1MAOBRIPK1
SCHEMBL1239272 0.73 CES2 (0.38) CES2CES1MAOBRIPK1
SCHEMBL14683279 0.72
SCHEMBL22516438 0.72 DBH (0.44)
SCHEMBL8065437 0.72 HTT (0.45) CES2CES1MAOBRIPK1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
CN-102459290-B Electronic devices comprising novel phosphonic acid surface modifiers 乔治亚州技术研究公司 2017-03-22 CN disclosed
US-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
US-8586208-B2 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2013-11-19 US disclosed
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 US disclosed
EP-2417142-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS Georgia Tech Research Corporation (US) 2012-02-15 EP disclosed
CN-102099941-A Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RES INST 2011-06-15 CN disclosed
US-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2011-05-19 US disclosed
EP-2304820-A1 STABLE ELECTRODES WITH MODIFIED WORK FUNCTIONS AND METHODS FOR ORGANIC ELECTRONIC DEVICES Georgia Tech Research Corporation (US) 2011-04-06 EP disclosed
WO-2010115854-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS GEORGIA TECH RESEARCH CORPORATION (US) 2010-10-14 WO disclosed
US-7754863-B2 Metal complex compounds for the optical recording, storage and playback of information; satisfactory sensitivity and recording properties, especially at high recording speeds CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
WO-2010007081-A1 STABLE ELECTRODES WITH MODIFIED WORK FUNCTIONS AND METHODS FOR ORGANIC ELECTRONIC DEVICES GEORGIA TECH RESEARCH CORPORATION (US) 2010-01-21 WO disclosed
US-20070248782-A1 High-Capacity Optical Storage Media CIBA SPECIALTY CHEMICALS CORP. 2007-10-25 US disclosed
CN-101006139-A High-capacity optical storage media CIBA SC HOLDING AG (CH) 2007-07-25 CN disclosed
EP-1778795-A1 HIGH-CAPACITY OPTICAL STORAGE MEDIA CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-05-02 EP disclosed
WO-2006018352-A1 HIGH-CAPACITY OPTICAL STORAGE MEDIA CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-23 WO disclosed
EP-1460110-A1 New halogeno-aromatic substituted indolestyryl dyes for optical data recording media CLARIANT INTERNATIONAL LTD. (CH) 2004-09-22 EP 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 CES2 1893/4885CES1 169/4885CA12 776/4885
US-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices EPCAM, EMD, L1CAM CES2 1243/4885CES1 4467/4885CA12 604/4885
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS EFNA1, PHOSPHO1, EPHA6 CES2 2056/4885CES1 3413/4885CA12 1010/4885

“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.