SCHEMBL752312

SCHEMBL752312

CC(=O)c1ccc(Cc2ccc(F)cc2C2OCCO2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GNRHR P30968 3/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
MAOB P27338 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL753227 0.83 HTT (0.37) HTTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2487946 0.81 SLC5A2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL765511 0.81 HTT (0.34) HTTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6811411 0.81 HTT (0.34) HTTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL753137 0.77 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL753321 0.75 HTT (0.43) HTTALDH1A1MEN1CYP2C19KMT2A
SCHEMBL754197 0.75 POLB (0.32) ALDH1A1POLB
SCHEMBL756455 0.75 PTGER1 (0.39) HTTALDH1A1TSHRPOLBMAOB
SCHEMBL3221601 0.73 HTT (0.47) HTTALDH1A1CYP2C19KMT2AHPGD
SCHEMBL4674508 0.70 ALDH1A1 (0.46) HTTALDH1A1MEN1KMT2AHPGD

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 17 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 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-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 HTT 4561/4885ALDH1A1 658/4885MEN1 4766/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885ALDH1A1 424/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HTT 4541/4885ALDH1A1 424/4885MEN1 4775/4885

“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.