SCHEMBL754568

SCHEMBL754568

CC(C)N1CC(c2ccc(Oc3ccccc3)cn2)=C(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.40
LTA4H P09960 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LIPG Q9Y5X9 2/20 0.36
ACACA Q13085 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
BTK Q06187 3/20 0.34
IDH1 O75874 2/20 0.34
MMP1 P03956 2/20 0.34
ADAM17 P78536 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
MMP16 P51512 1/20 0.34
GRM5 P41594 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
SCHEMBL756168 0.90 IDH1 (0.38) LIPGHRH3IDH1ALDH1A1
SCHEMBL755270 0.86 HRH3 (0.38) ACACBLIPGACACAHRH3IDH1
SCHEMBL753023 0.85 HRH3 (0.41) ACACBLIPGACACAHRH3IDH1
SCHEMBL754428 0.84 LIPG (0.48) ACACBLTA4HCYP11B1CYP11B2LIPG
SCHEMBL757191 0.77 HRH3 (0.40) LIPGHRH3IDH1ALDH1A1SMN1; SMN2
SCHEMBL2486824 0.76 HRH3 (0.43) LIPGHRH3IDH1MMP13KDM4E
SCHEMBL752971 0.74 LIPG (0.49) LTA4HLIPGHRH3IDH1MMP13
SCHEMBL755368 0.73 HRH3 (0.39) LIPGHRH3IDH1MMP13KDM4E
SCHEMBL751851 0.71 CYP11B1 (0.32) CYP11B1CYP11B2LIPGIDH1KDM4E
SCHEMBL13503270 0.70 LIPG (0.51) LIPGKDM4EALDH1A1LMNAMAPT

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 11 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-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 ACACB 2198/4885LTA4H 1960/4885CYP11B1 1880/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ACACB 2536/4885LTA4H 2208/4885CYP11B1 1632/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ACACB 2536/4885LTA4H 2208/4885CYP11B1 1632/4885

“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.