SCHEMBL754592

SCHEMBL754592

CCOC(=O)c1oc2ccc(O)cc2c(=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
GAA P10253 2/20 0.54
TSHR P16473 2/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
AKR1B1 P15121 1/20 0.52
ALOX5 P09917 8/20 0.52
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL1474090 0.85 MEN1 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL2301948 0.81 MEN1 (0.60) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL756334 0.80 HTT (0.57) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL29495358 0.77 AKR1B1 (0.80) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL115442 0.77 AKR1B1 (0.80) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL758464 0.77 KDM4E (0.67) ALDH1A1HPGDSMN1; SMN2MAOBALOX5
SCHEMBL24470667 0.76 MEN1 (0.71) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL29630155 0.76 MEN1 (0.71) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL10739672 0.76 ALDH1A1 (0.70) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL4775716 0.76 KDM4E (0.71) ALDH1A1HPGDSMN1; SMN2TSHRMAPT

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
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
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

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 MEN1 4775/4885KMT2A 667/4885ALDH1A1 424/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885ALDH1A1 424/4885

“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.