SCHEMBL10071787

SCHEMBL10071787

Cc1cc(C)c2c(c1C)OC(C)(C(=O)N=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
PSEN1 P49768 8/20 0.39
TTPA P49638 2/20 0.34
ALOX5 P09917 2/20 0.34
BCHE P06276 5/20 0.32
ACHE P22303 5/20 0.32

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
SCHEMBL2597432 0.84 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL23961349 0.84 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL7453293 0.83 PTGS1 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL20819462 0.81 PTGS1 (0.45) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15150900 0.78 PSEN1 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL16215105 0.78 PTGS1 (0.51) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL17612817 0.77 PTGS1 (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5460830 0.76 PTGS1 (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL29242853 0.76 PSEN1 (0.53) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL3662899 0.75 PTGS1 (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2012-02-02 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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, PPOX, PRDX5 PTGS1 1535/4885PTGS2 1570/4885CYP1A2 2447/4885

“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.