SCHEMBL18393631

SCHEMBL18393631

COc1c(F)cc(C=O)c(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ERN1 O75460 11/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ PRKDC P78527 1/20 0.37
▸ TRIM24 O15164 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ SRC P12931 1/20 0.34

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
SCHEMBL24136726 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL27189181 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL38661111 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL20123251 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL13605932 0.78 PRKDC (0.48) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL11041903 0.78 ERN1 (0.49) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL23414419 0.78 ERN1 (0.40) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL31166894 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL4655024 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL1186103 0.76 ERN1 (0.52) ALDH1A1KDM4ETSHRTDP1CA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 — — US disclosed
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 — — US disclosed
US-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 — — US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 — — US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 — — US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 — — US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 — — US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 — — US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 — — US disclosed
EP-3121175-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-25 — — EP disclosed
CN-106132954-A 1,3 benzodioxole derivant 第三共株式会社 2016-11-16 — — CN 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 (4 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-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 ALDH1A1 233/4885KDM4E 21/4885TSHR 3434/4885
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 ALDH1A1 233/4885KDM4E 21/4885TSHR 3434/4885
US-10017500-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 ALDH1A1 233/4885KDM4E 21/4885TSHR 3434/4885
US-10954219-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 ALDH1A1 233/4885KDM4E 21/4885TSHR 3434/4885

“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.

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