SCHEMBL2489852

SCHEMBL2489852

CCCCN1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 12/20 0.44
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RGS4 P49798 1/20 0.35
RGS8 P57771 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL754217 0.94 LIPG (0.40) LIPGALDH1A1NPSR1POLB
SCHEMBL752965 0.91 LIPG (0.41) LIPGALDH1A1POLB
SCHEMBL2486832 0.89 ALDH1A1 (0.41) LIPGALDH1A1POLBMAPT
SCHEMBL754447 0.88 LIPG (0.41) LIPGALDH1A1POLBMAPT
SCHEMBL752862 0.87 LIPG (0.41) LIPGALDH1A1POLBKDM4EHPGD
SCHEMBL752899 0.85 LIPG (0.51) LIPGALDH1A1POLB
SCHEMBL755241 0.84 ALDH1A1 (0.38) LIPGALDH1A1POLB
SCHEMBL754446 0.84 ALDH1A1 (0.36) LIPGALDH1A1NPSR1POLB
SCHEMBL755124 0.84 DRD2 (0.40) LIPGALDH1A1POLBKDM4E
SCHEMBL765857 0.84 LIPG (0.47) LIPGALDH1A1POLBHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US 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 LIPG 3541/4885ALDH1A1 658/4885NPSR1 4178/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885NPSR1 4131/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885NPSR1 4131/4885

“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.