SCHEMBL896329

SCHEMBL896329

O=Cc1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
PPARA Q07869 5/20 0.40
CYP2A6 P11509 1/20 0.40
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAOB P27338 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2020660 0.96 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL3480749 0.85 CHRNB4 (0.43) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL13612667 0.84 CHRNB4 (0.44) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL9146331 0.83 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL9144314 0.83 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL1985001 0.81 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL1783873 0.80 PPARA (0.48) MAPTPPARAKDM4E
SCHEMBL1783875 0.80 PPARA (0.48) MAPTPPARAKDM4E
SCHEMBL5489747 0.80 MAOB (0.35) MAPTPPARAMAOB
SCHEMBL5959986 0.80 KCNA3 (0.50) ALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9164376-B2 Patterning nano-scale patterns on a film comprising unzipping copolymers GLOBALFOUNDRIES INC. (KY) 2015-10-20 US disclosed
US-8574815-B2 Patterning nano-scale patterns on a film comprising unzipping copolymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-11-05 US disclosed
US-8450043-B2 Patterning nano-scale patterns on a film comprising unzipping copolymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-28 US disclosed
US-20120297905-A1 PATTERNING NANO-SCALE PATTERNS ON A FILM COMPRISING UNZIPPING COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-29 US disclosed
US-20120301672-A1 PATTERNING NANO-SCALE PATTERNS ON A FILM COMPRISING UNZIPPING COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-29 US disclosed
US-20120082944-A1 Patterning nano-scale patterns on a film comprising unzipping copolymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-04-05 US disclosed
US-7576245-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2009-08-18 US disclosed
US-20060128957-A1 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED 2006-06-15 US disclosed
US-7060850-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2006-06-13 US disclosed
US-20040073054-A1 New fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES, INC. 2004-04-15 US disclosed
WO-2004007407-A2 FLUOROUS TAGGING AND SCAVENGING REACTANTS AND METHODS OF SYNTHESIS AND USE THEREOF FLUOROUS TECHNOLOGIES INCORPORATED (US) 2004-01-22 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 (2 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-20040073054-A1 New fluorous tagging and scavenging reactants and methods of synthesis and use thereof THEM6, NOTUM, RNF31 ALDH1A1 616/4885MAPT 1098/4885SMN1; SMN2 4644/4885
US-20060128957-A1 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof PFAS, CTSF, AFF2 ALDH1A1 513/4885MAPT 851/4885SMN1; SMN2 4522/4885

“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.