SCHEMBL752325

SCHEMBL752325

COc1c(C(=O)O)n(C)c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.48
PABPC1 P11940 2/20 0.48
PKM P14618 1/20 0.48
EIF4H Q15056 1/20 0.48
HSD17B10 Q99714 4/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 5/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
EGFR P00533 1/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL10412134 0.89 KMT2A (0.55) ALDH1A1L3MBTL1KMT2APABPC1PKM
SCHEMBL752911 0.82 ALDH1A1 (0.57) KDM1AALDH1A1L3MBTL1KMT2APKM
SCHEMBL13740053 0.80 ALDH1A1 (0.47) KDM1AALDH1A1KMT2APABPC1HSD17B10
SCHEMBL754182 0.80 KDM4E (0.63) KDM1AALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL29372620 0.76 EGFR (0.54) ALDH1A1L3MBTL1HSD17B10CYP2C19KDM4E
SCHEMBL10669287 0.76 ALDH1A1 (0.54) ALDH1A1L3MBTL1KMT2AHSD17B10KDM4E
SCHEMBL14236771 0.75 ALDH1A1 (0.50) KDM1AALDH1A1L3MBTL1KMT2APABPC1
SCHEMBL14577313 0.74 PABPC1 (0.59) ALDH1A1KMT2APABPC1PKMEIF4H
SCHEMBL1092586 0.74 KDM4E (0.67) ALDH1A1L3MBTL1KMT2APABPC1PKM
SCHEMBL5001736 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1KMT2APKMHSD17B10

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
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 KDM1A 339/4885ALDH1A1 424/4885L3MBTL1 1368/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM1A 339/4885ALDH1A1 424/4885L3MBTL1 1368/4885

“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.