SCHEMBL323526

SCHEMBL323526

Cc1cc(C)n(CCOC(=O)N2C=Cc3ccccc3C2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
NAMPT P43490 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL324282 0.89 LMNA (0.38) TSHRNAMPTKMT2AALDH1A1GAA
SCHEMBL14892647 0.82 PTGDR2 (0.39) KMT2AALDH1A1GAA
SCHEMBL324898 0.80 PTGDR2 (0.39) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL15056964 0.79 HDAC3 (0.41) TSHRNAMPTKMT2AMEN1ALDH1A1
SCHEMBL29493251 0.79 HDAC3 (0.41) TSHRNAMPTKMT2AMEN1ALDH1A1
SCHEMBL5721697 0.78 ALDH1A1 (0.41) TSHRNAMPTALDH1A1GAAKDM4E
SCHEMBL14893014 0.77 ALDH1A1 (0.36) TSHRALDH1A1GAAKDM4ELMNA
SCHEMBL323769 0.77 TSHR (0.42) TSHRNAMPTALDH1A1GAAKDM4E
SCHEMBL15355315 0.76 POLB (0.53) TSHRNAMPTKMT2AMEN1ALDH1A1
SCHEMBL324190 0.76 BCHE (0.44) TSHRNAMPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 TSHR 317/4885NAMPT 2828/4885KMT2A 4417/4885

“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.