SCHEMBL324917

SCHEMBL324917

Cc1cc(COC(=O)N2C=Cc3ccccc3C2)on1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 6/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
VHL P40337 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL324037 0.83 MAPT (0.40) ALDH1A1RAB9ANPC1LMNAL3MBTL1
SCHEMBL323568 0.80 ALDH1A1 (0.49) KMT2AALDH1A1RAB9ATDP1LMNA
SCHEMBL29493251 0.80 HDAC3 (0.41) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL15056964 0.80 HDAC3 (0.41) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL324798 0.79 GRIN2B (0.40) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL324797 0.78 GABRA1 (0.33) HDAC3
SCHEMBL324898 0.78 PTGDR2 (0.39) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL324346 0.78 P2RX4 (0.47) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL15056293 0.78 DPP4 (0.41) KMT2AMEN1HDAC3GRM5
SCHEMBL324992 0.78 NPSR1 (0.37) KMT2AMEN1RAB9ANPC1HDAC3

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 KMT2A 4417/4885MEN1 3717/4885ALDH1A1 2057/4885

“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.