SCHEMBL7052295

SCHEMBL7052295

O=C(OCc1ccccc1)C1C=CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
ALDH1A1 P00352 3/20 0.41
BACE1 P56817 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39
FKBP1A P62942 2/20 0.39

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
SCHEMBL6876556 0.92 GLA (0.44) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL19225929 0.83 EGLN1 (0.47) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL27821456 0.76 TSHR (0.48) TSHRFABP7FABP5ALDH1A1MAPK1
SCHEMBL30960659 0.75 TSHR (0.47) TSHRFABP7FABP5ALDH1A1KMT2A
SCHEMBL630517 0.74 TSHR (0.63) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL693351 0.74 TSHR (0.63) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL4069956 0.74 TSHR (0.63) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL6727374 0.73 TSHR (0.61) TSHRGLAFABP7FABP5ALDH1A1
Hydrochloric Acid SCHEMBL1000787 0.73 TSHR (0.65) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL630942 0.73 TSHR (0.61) TSHRGLAFABP7FABP5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162987-A1 Functionalized small molecules for use in chemical sensors THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-08-28 US disclosed
WO-2003026770-A1 METHOD FOR REMOVING METAL FROM THE PRODUCTS OF OLEFIN METATHESIS REACTIONS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 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-20030162987-A1 Functionalized small molecules for use in chemical sensors L1CAM, OR10J3, PTPN21 TSHR 1959/4885GLA 4063/4885FABP7 409/4885

“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.