SCHEMBL324249

SCHEMBL324249

Cc1noc(C)c1COC=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL28488394 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL791943 0.75 KDM4E (0.49) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL5196264 0.74 LMNA (0.42) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL402220 0.74 GAA (0.45) ALDH1A1L3MBTL1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL1716042 0.72 GAA (0.44) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL4360809 0.72 GAA (0.44) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL7308739 0.72 ALDH1A1 (0.61) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL18213826 0.71 GAA (0.43) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL13788804 0.71 LMNA (0.43) ALDH1A1L3MBTL1GAAKMT2AMEN1
SCHEMBL4193853 0.71 MEN1 (0.43) ALDH1A1L3MBTL1GAAKMT2AMEN1

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 ALDH1A1 2057/4885L3MBTL1 4628/4885GAA 4326/4885

“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.