SCHEMBL752032

SCHEMBL752032

CC(C)N1C(=O)C(O)=C(C(=O)c2ccc(Cc3ccc(F)cc3)o2)C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
RXFP1 Q9HBX9 5/20 0.39
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX12 P18054 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL752004 0.76 ALDH1A1 (0.40) ALDH1A1POLBRXFP1LMNAMEN1
SCHEMBL18633315 0.73 POLB (0.39) ALDH1A1POLBRXFP1LMNANPSR1
SCHEMBL752899 0.72 LIPG (0.51) ALDH1A1POLBLMNATSHRLIPG
SCHEMBL758461 0.72 ALDH1A1 (0.38) ALDH1A1POLBRXFP1LMNANPSR1
SCHEMBL752967 0.72 POLB (0.38) ALDH1A1POLBRXFP1LMNANPSR1
SCHEMBL756448 0.70 LIPG (0.42) ALDH1A1POLBRXFP1LMNAMAPT
SCHEMBL2486832 0.70 ALDH1A1 (0.41) ALDH1A1POLBLMNAMAPTTSHR
SCHEMBL751187 0.70 ALDH1A1 (0.39) ALDH1A1POLBRXFP1LMNAMEN1
SCHEMBL753324 0.70 ALDH1A1 (0.42) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL751986 0.70 LIPG (0.41) ALDH1A1POLBLMNAHPGDKDM4E

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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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-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 ALDH1A1 658/4885POLB 89/4885RXFP1 4551/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885RXFP1 4067/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885POLB 107/4885RXFP1 4067/4885

“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.