SCHEMBL325470

SCHEMBL325470

COc1ccc(COC(=O)N2C=Cc3ccccc3C2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
NAMPT P43490 3/20 0.42
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 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
SCHEMBL325479 0.88 RECQL (0.41) NAMPTALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL324667 0.83 P2RX4 (0.48) ALDH1A1SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL323321 0.83 NPC1 (0.47) KDM4ENAMPTALDH1A1MAPT
SCHEMBL324897 0.83 RXFP1 (0.42) KDM4ENAMPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL323741 0.81 GABRA1 (0.36) NAMPTALDH1A1KMT2AMEN1MAPT
SCHEMBL324992 0.79 NPSR1 (0.37) SMN1; SMN2KMT2AMEN1
SCHEMBL324798 0.78 GRIN2B (0.40) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL323401 0.78 BCL9 (0.40) ALDH1A1TDP1TAS1R3TAS1R1TAS1R2
SCHEMBL323140 0.78 MMP2 (0.42) TAS1R3TAS1R1TAS1R2
SCHEMBL323574 0.77 GRIN2B (0.41) KDM4EALDH1A1GAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 3620/4885NAMPT 2828/4885ALDH1A1 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.