SCHEMBL451432

SCHEMBL451432

Cc1ccccc1CC(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
NR3C1 P04150 1/20 0.40
ACHE P22303 3/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A13 Q16696 1/20 0.35
SSTR4 P31391 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
CTBP2 P56545 1/20 0.34
CYP11B1 P15538 1/20 0.34

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
SCHEMBL1821553 0.82 TAAR1 (0.46) TAAR1NR3C1ACHETSHRCHRM2
SCHEMBL24848861 0.81 TAAR1 (0.42) TAAR1NR3C1ACHETSHRCHRM2
SCHEMBL25681350 0.80 TAAR1 (0.45) TAAR1NR3C1ACHETSHRCHRM2
SCHEMBL28443237 0.77 TAAR1 (0.46) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL3167835 0.75 RIPK1 (0.48) TAAR1NR3C1ACHETSHRCHRM2
SCHEMBL18262834 0.74 HSPA5 (0.50) TAAR1TSHRKDM4EKMT2A
SCHEMBL808983 0.71 TAAR1 (0.45) TAAR1NR3C1ACHETSHRCHRM2
SCHEMBL15976426 0.71 TAAR1 (0.45) TAAR1NR3C1ACHETSHRCHRM2
SCHEMBL3638610 0.71 TAAR1 (0.52) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL13722854 0.71 TAAR1 (0.45) TAAR1NR3C1ACHETSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435446-B1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2016-11-30 EP disclosed
US-8920679-B2 Fluorinated silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES CO. (US) 2014-12-30 US disclosed
US-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2012-03-15 US disclosed
WO-2010138807-A1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-12-02 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 (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-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same PFAS, FLNB, FLNA TAAR1 3353/4885NR3C1 3774/4885ACHE 812/4885

“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.