SCHEMBL11916618

SCHEMBL11916618

CC(C)Oc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
MCHR1 Q99705 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
KCNN4 O15554 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.39
HRH1 P35367 1/20 0.38
ACHE P22303 1/20 0.38
TRPA1 O75762 1/20 0.37

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
SCHEMBL7766001 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR1ADRD2
SCHEMBL23824909 0.83 HTR1A (0.42) SLC6A2SLC6A4SLC6A3HTR1ADRD2
SCHEMBL17070600 0.82 ALDH1A1 (0.53) SLC6A2SLC6A4SLC6A3IRAK4KCNN4
SCHEMBL104729 0.82 ALDH1A1 (0.53) SLC6A2SLC6A4SLC6A3IRAK4KCNN4
SCHEMBL12528219 0.81 MCHR1 (0.40) HTR1AHTR7MCHR1IRAK4KCNN4
SCHEMBL13263183 0.81 KCNN4 (0.41) HTR1AHTR7MCHR1IRAK4KCNN4
SCHEMBL16606250 0.81 MCHR1 (0.40) SLC6A2SLC6A4HTR1AMCHR1IRAK4
SCHEMBL25835370 0.80 FFAR4 (0.37) HTR2AMCHR1IRAK4KCNN4ALDH1A1
SCHEMBL23588427 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR1ADRD2
SCHEMBL104947 0.79 MCHR1 (0.46) HTR1ADRD2HTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014520-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF GENZYME CORPORATION 2017-01-19 US disclosed
US-20120201809-A1 MULTIFUNCTIONAL ANTIBODY CONJUGATES COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2012-08-09 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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 (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-20170014520-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF MAN2B1, MAN1B1, GAA SLC6A2 677/4885SLC6A4 882/4885SLC6A3 602/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 SLC6A2 1108/4885SLC6A4 1912/4885SLC6A3 781/4885
US-20120201809-A1 MULTIFUNCTIONAL ANTIBODY CONJUGATES CLTB, CLTA, FCGRT SLC6A2 4516/4885SLC6A4 4815/4885SLC6A3 4163/4885

“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.