SCHEMBL3833100

SCHEMBL3833100

Cc1cccc(C=CC(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.55
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
ALOX5 P09917 1/20 0.52
NPC1 O15118 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
FBP1 P09467 1/20 0.50
ACHE P22303 2/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NFE2L2 Q16236 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 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
SCHEMBL3833096 1.00 RELA (0.55) RELATP53TDP1PTGS1PTGS2
SCHEMBL1795132 0.82 PTGS1 (0.69) RELATP53TDP1PTGS1PTGS2
SCHEMBL1795130 0.82 PTGS1 (0.69) RELATP53TDP1PTGS1PTGS2
SCHEMBL21847980 0.82 PTGS1 (0.69) RELATP53TDP1PTGS1PTGS2
SCHEMBL18378693 0.78 TP53 (0.56) RELATP53TDP1PTGS1PTGS2
SCHEMBL23457950 0.78 TP53 (0.60) RELATP53TDP1PTGS1PTGS2
SCHEMBL1179749 0.78 RELA (0.74) RELATP53TDP1PTGS1PTGS2
SCHEMBL29673932 0.78 RELA (0.74) RELATP53TDP1PTGS1PTGS2
SCHEMBL29862171 0.78 TP53 (0.60) RELATP53TDP1PTGS1PTGS2
SCHEMBL1179750 0.78 RELA (0.74) RELATP53TDP1PTGS1PTGS2

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
EP-1881954-B1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE TEVA PHARMA (IL) 2009-09-16 EP disclosed
US-7250533-B2 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2007-07-31 US disclosed
US-20070043243-A1 Process for preparing Cinacalcet hydrochloride TEVA PHARMACEUTICALS USA, INC. 2007-02-22 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-20070043243-A1 Process for preparing Cinacalcet hydrochloride SI, PRCP, CA9 RELA 4637/4885TP53 2474/4885TDP1 4375/4885

“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.