SCHEMBL753227

SCHEMBL753227

CC(=O)c1ccc(Cc2ccccc2C2OCCO2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.35
GNRHR P30968 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
GFER P55789 1/20 0.33
PTGER1 P34995 1/20 0.32

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
SCHEMBL752312 0.83 HTT (0.34) HTTALDH1A1GNRHRLMNAMAPT
SCHEMBL2484464 0.79 HTT (0.37) HTTALDH1A1GNRHRMAPK1LMNA
SCHEMBL16921569 0.76 TYMP (0.46) HTTALDH1A1GNRHRMAPK1LMNA
SCHEMBL757197 0.74 HTT (0.31) HTTALDH1A1LMNARAB9APOLB
SCHEMBL751294 0.72 HDAC1 (0.46) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL765052 0.72 KMT2A (0.48) HTTALDH1A1LMNAMAPTTSHR
SCHEMBL756355 0.72 LMNA (0.56) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL11941061 0.71 CTSB (0.43) HTTMAPK1LMNAMAPTTSHR
SCHEMBL757095 0.69 MTNR1A (0.43) HTTALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL754516 0.69 FFAR4 (0.42) HTTALDH1A1LMNAMAPTTSHR

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-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
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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885ALDH1A1 424/4885GNRHR 2549/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885ALDH1A1 424/4885GNRHR 2549/4885

“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.