SCHEMBL2009551

SCHEMBL2009551

O=C(c1ccc(Br)s1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
DAO P14920 1/20 0.47
GSK3B P49841 2/20 0.43
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL1231097 0.81 HDAC6 (0.46) HPGDTHRBALDH1A1HDAC6HDAC3
SCHEMBL2227006 0.78 CES2 (0.59) CES2CES1DAOGSK3BKMT2A
SCHEMBL5050913 0.76 CES2 (0.41) CES2CES1DAOGSK3BKMT2A
SCHEMBL10874696 0.73 GSK3B (0.51) CES2CES1DAOGSK3BKMT2A
SCHEMBL24198806 0.71 CES2 (0.59) CES2CES1DAOGSK3BKMT2A
SCHEMBL5050944 0.70 HDAC6 (0.37) CES2CES1DAOGSK3BKMT2A
SCHEMBL5469523 0.69 CES2 (0.57) CES2CES1DAOGSK3BKMT2A
SCHEMBL17955222 0.69 ALDH1A1 (0.56) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL17955234 0.68 ALDH1A1 (0.55) KMT2AMEN1NPC1LMNASMN1; SMN2
SCHEMBL1244072 0.67 CES2 (0.73) CES2CES1DAOGSK3BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964650-B2 Carbonyl-functionalized thiophene compounds and related device structures NORTHWESTERN UNIVERSITY (US) 2011-06-21 US disclosed
US-20090267061-A1 Carbonyl-Functionalized Thiophene Compounds and Related Device Structures POLYERA CORPORATION 2009-10-29 US disclosed
US-7528176-B2 organic field effect transistor device comprising semiconductor component (comprises a composition of thiophene-carbonyl compounds and polymer); enhanced solubility in a solvent and thermal stablity; promote electron and hole mobilities; in thermal analysis, molecular spectroscopy, electrochemistry NORTHWESTERN UNIVERSITY (US) 2009-05-05 US disclosed
EP-1831205-A1 CARBONYL-FUNCTIONALIZED THIOPHENE COMPOUNDS AND RELATED DEVICE STRUCTURES Northwestern University (US) 2007-09-12 EP disclosed
WO-2007050049-A1 CARBONYL-FUNCTIONALIZED THIOPHENE COMPOUNDS AND RELATED DEVICE STRUCTURES NORTHWESTERN UNIVERSITY (US) 2007-05-03 WO disclosed
US-20060186401-A1 Carbonyl-functionalized thiophene compounds and related device structures POLYERA CORPORATION 2006-08-24 US 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-20090267061-A1 Carbonyl-Functionalized Thiophene Compounds and Related Device Structures TEC, OR10J3, TRPA1 CES2 1275/4885CES1 4790/4885DAO 2329/4885

“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.