SCHEMBL231764

SCHEMBL231764

CCOC(=O)Cc1c2c(c3ccccn13)CC(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
IDO1 P14902 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL232954 0.80 CYP3A4 (0.47) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL233240 0.80 CYP3A4 (0.45) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL233271 0.75 CYP3A4 (0.45) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL230873 0.69 PTGDR2 (0.54) ALDH1A1HPGDCYP3A4MEN1KMT2A
SCHEMBL2427083 0.68 KDM4E (0.62) ALDH1A1KDM4EGLAHPGDL3MBTL1
SCHEMBL7710724 0.68 HCRTR2 (0.70) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL4635494 0.67 L3MBTL1 (0.59) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL253650 0.66 PTGDR2 (0.49) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL19585633 0.66 MAPK1 (0.49) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL18549638 0.65 KDM4E (0.53) ALDH1A1KDM4EGAAGLAHPGD

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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2599/4885KDM4E 4858/4885GAA 3372/4885

“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.