SCHEMBL755472

SCHEMBL755472

CC(C)N1CC(C(=O)c2ccc(Cc3cccc4c3OCO4)o2)=C(O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MCHR1 Q99705 2/20 0.33
KDM4C Q9H3R0 1/20 0.32
TACR1 P25103 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.32
DRD2 P14416 4/20 0.31
HTR2A P28223 4/20 0.31
DRD3 P35462 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CLPP Q16740 1/20 0.31
MTNR1A P48039 3/20 0.30

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
SCHEMBL756564 0.87 LIPG (0.38) KDM4C
SCHEMBL765859 0.83 LIPG (0.37) LMNAPOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL756751 0.83 NQO1 (0.36) LMNAMAPT
SCHEMBL751193 0.81 PARP1 (0.33) LMNAPOLBALDH1A1
SCHEMBL765536 0.81 ALDH1A1 (0.36) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL752149 0.80 USP2 (0.34) LMNAPOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL752004 0.80 ALDH1A1 (0.40) LMNAKDM4CPOLBMEN1KMT2A
SCHEMBL17907490 0.80 RXFP1 (0.32) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL755448 0.76 P2RX3 (0.41) LMNAPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL16921574 0.76 ALDH1A1 (0.34) LMNAKDM4CPOLBHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT LMNA 2825/4885MCHR1 4223/4885KDM4C 334/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885MCHR1 3448/4885KDM4C 353/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885MCHR1 3448/4885KDM4C 353/4885

“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.