SCHEMBL755594

SCHEMBL755594

CC(=O)c1ccc(Cc2cccc(OC(C)C)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
DHFR P00374 1/20 0.43
POLB P06746 1/20 0.43
ACACB O00763 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL4675887 0.86 SMN1; SMN2 (0.48) POLBHTTALDH1A1TP53LMNA
SCHEMBL2490056 0.79 ALDH1A1 (0.39) P2RX3DHFRACACBHTTALDH1A1
SCHEMBL4672555 0.79 KMT2A (0.53) POLBHTTALDH1A1TP53LMNA
SCHEMBL4673264 0.79 LMNA (0.47) POLBTP53LMNAMAPT
SCHEMBL4674508 0.77 ALDH1A1 (0.46) POLBHTTALDH1A1TP53HPGD
SCHEMBL756355 0.76 LMNA (0.56) HTTALDH1A1TP53LMNAHPGD
SCHEMBL754516 0.76 FFAR4 (0.42) HTTALDH1A1TP53LMNAHPGD
SCHEMBL755448 0.75 P2RX3 (0.41) P2RX3DHFRPOLBHTTALDH1A1
SCHEMBL1416873 0.73 POLB (0.67) P2RX3DHFRPOLBACACBHTT
SCHEMBL4676834 0.72 ALDH1A1 (0.60) HTTALDH1A1TP53LMNAHPGD

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 9 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-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 P2RX3 3526/4885DHFR 34/4885POLB 89/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885DHFR 44/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885DHFR 44/4885POLB 107/4885

“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.