SCHEMBL828495

SCHEMBL828495

F[C](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HTT P42858 2/20 0.32
RECQL P46063 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL953002 0.73 CES1 (0.39) CES2CES1HTTRECQLLMNA
SCHEMBL15841309 0.71
SCHEMBL317184 0.67 CES2 (0.43) CES2CES1HTTRECQLLMNA
SCHEMBL6448128 0.67 CES2 (0.43) CES2CES1HTTRECQLLMNA
SCHEMBL6140455 0.66 SMN1; SMN2 (0.38) CES2CES1HTT
SCHEMBL826794 0.65 CES2 (0.35) CES2CES1HTT
SCHEMBL7783591 0.65 CES2 (0.35) CES2CES1HTT
SCHEMBL25142234 0.64 HTT (0.43) HTTRECQLLMNATP53MAPK1
SCHEMBL10937999 0.64 SMN1; SMN2 (0.41) CES2CES1HTT
SCHEMBL31542027 0.63 SMN1; SMN2 (0.41) CES2CES1

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-8436199-B2 Strong boron-containing acids, the preparation and use thereof MERCK PATENT GMBH (DE) 2013-05-07 US disclosed
US-8143452-B2 Salts having alkoxytris(fluoroalkyl)borate anions MERCK PATENT GMBH (DE) 2012-03-27 US disclosed
EP-1802638-B1 BORON-CONTAINING SALTS, THE PRODUCTION THEREOF AND THEIR USE MERCK PATENT GMBH (DE) 2011-07-20 EP disclosed
US-20100160689-A1 SALTS HAVING ALKOXYTRIS(FLUOROALKYL)BORATE ANIONS IGNATYEV NIKOLA MYKOLA 2010-06-24 US disclosed
US-7700781-B2 Salts having alkoxytris(fluoroalkyl)borate anions MERCK PATENT GMBH (DE) 2010-04-20 US disclosed
US-20100069655-A1 NOVEL STRONG BORON-CONTAINING ACIDS, THE PREPARATION AND USE THEREOF FINZE MAIK 2010-03-18 US disclosed
EP-1773848-B1 SALTS CONTAINING ALKOXYTRIS (FLUOROALKYL) BORATE ANIONS MERCK PATENT GMBH (DE) 2009-12-30 EP disclosed
US-20080214829-A1 Salts Having Alkoxytris(Fluoroalkyl)Borate Anions MERCK PATENT GMBH (DE) 2008-09-04 US disclosed
US-20070293391-A1 Novel Strong Boron-Containing Acids, The Preparation And Use Thereof MERCK PATENT GMBH (DE) 2007-12-20 US disclosed
EP-1802638-A1 NOVEL BORON-CONTAINING STRONG ACIDS, THE PRODUCTION THEREOF AND THEIR USE Merck Patent GmbH (DE) 2007-07-04 EP disclosed
EP-1773848-A2 SALTS CONTAINING ALKOXYTRIS (FLUOROALKYL) BORATE ANIONS Merck Patent GmbH (DE) 2007-04-18 EP disclosed
WO-2006045405-A1 NOVEL BORON-CONTAINING STRONG ACIDS, THE PRODUCTION THEREOF AND THEIR USE MERCK PATENT GMBH (DE) 2006-05-04 WO disclosed
WO-2006010455-A2 SALTS CONTAINING ALKOXYTRIS (FLUOROALKYL) BORATE ANIONS MERCK PATENT GMBH (DE) 2006-02-02 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-20080214829-A1 Salts Having Alkoxytris(Fluoroalkyl)Borate Anions ALK, CCL11, ALKBH3 CES2 2127/4885CES1 3156/4885HTT 1813/4885
US-20070293391-A1 Novel Strong Boron-Containing Acids, The Preparation And Use Thereof AFF4, AFF1, AFF2 CES2 2110/4885CES1 1713/4885HTT 3118/4885
US-20100069655-A1 NOVEL STRONG BORON-CONTAINING ACIDS, THE PREPARATION AND USE THEREOF AFF4, AFF1, AFF2 CES2 2009/4885CES1 1655/4885HTT 3688/4885
US-20100160689-A1 SALTS HAVING ALKOXYTRIS(FLUOROALKYL)BORATE ANIONS ALK, CCL11, ALKBH3 CES2 2127/4885CES1 3156/4885HTT 1813/4885

“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.