SCHEMBL324196

SCHEMBL324196

Cc1cc(COC=O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
DAO P14920 1/20 0.36
KCNH2 Q12809 10/20 0.35
GRIN2B Q13224 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 1/20 0.32
P2RX7 Q99572 1/20 0.32
MPO P05164 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 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
SCHEMBL8270922 0.77 FFAR1 (0.40) FFAR1DAOKCNH2GRIN2BSMN1; SMN2
SCHEMBL25633056 0.76 DAO (0.38) FFAR1DAOKCNH2GRIN2BSMN1; SMN2
SCHEMBL12126170 0.74 FFAR1 (0.44) FFAR1DAOKCNH2GRIN2BSMN1; SMN2
SCHEMBL12126344 0.74 FFAR1 (0.44) FFAR1DAOKCNH2SMN1; SMN2P2RX7
SCHEMBL25038987 0.73 FFAR1 (0.38) FFAR1DAOKCNH2GRIN2BMPO
SCHEMBL243531 0.72
SCHEMBL19072033 0.71 DAO (0.36) FFAR1DAOKCNH2GRIN2BSMN1; SMN2
SCHEMBL12126268 0.71 FFAR1 (0.42) FFAR1DAOKCNH2GRIN2BSMN1; SMN2
SCHEMBL4085585 0.71 DAO (0.39) FFAR1DAOKCNH2GRIN2BSMN1; SMN2
SCHEMBL2608838 0.70 FFAR1 (0.39) FFAR1DAOKCNH2GRIN2BMPO

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 FFAR1 50/4885DAO 3361/4885KCNH2 1451/4885

“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.