SCHEMBL323497

SCHEMBL323497

Cc1cc(C)c(COC(=O)N2C=Cc3ccccc3C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.37
HDAC3 O15379 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
P2RX4 Q99571 2/20 0.33
OPRM1 P35372 3/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL324429 0.90 HDAC3 (0.36) HSD17B3HDAC3NPSR1MEN1KMT2A
SCHEMBL324992 0.86 NPSR1 (0.37) HSD17B3HDAC3NPSR1MEN1KMT2A
SCHEMBL324346 0.84 P2RX4 (0.47) NPSR1MEN1KMT2AP2RX4LMNA
SCHEMBL15056964 0.83 HDAC3 (0.41) HSD17B3HDAC3NPSR1MEN1KMT2A
SCHEMBL29493251 0.83 HDAC3 (0.41) HSD17B3HDAC3NPSR1MEN1KMT2A
SCHEMBL324798 0.83 GRIN2B (0.40) HSD17B3HDAC3MEN1KMT2AP2RX4
SCHEMBL324589 0.82 GRIN2B (0.41) HSD17B3NPSR1MEN1KMT2AP2RX4
SCHEMBL8573553 0.81 HSD17B3 (0.39) HSD17B3HDAC3NPSR1MEN1KMT2A
SCHEMBL323819 0.81 MMP1 (0.39) HDAC3MEN1KMT2AP2RX4
SCHEMBL323741 0.81 GABRA1 (0.36) HDAC3MEN1KMT2A

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 HSD17B3 967/4885HDAC3 2109/4885NPSR1 155/4885

“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.