SCHEMBL18188997

SCHEMBL18188997

COc1cc(CO)c(OC(=O)Oc2cc(OC)c(OC)cc2CO)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ TNFSF11 O14788 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HMGCR P04035 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NFE2L2 Q16236 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL18188999 0.87 CYP3A4 (0.50) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL18200168 0.87 MTNR1A (0.48) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL95746 0.83 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL26009127 0.81 TNFSF11 (0.62) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL19014916 0.79 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL16156475 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL16111382 0.77 HSD17B10 (0.54) KMT2AALDH1A1
SCHEMBL16112093 0.77 HSD17B10 (0.46) KMT2AALDH1A1
SCHEMBL16469963 0.73 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL2888596 0.73 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288933-B1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUND FOR RES DEV (US) 2021-10-06 — — EP disclosed
US-10370328-B2 Oxindole compounds and pharmaceutical compositions thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-08-06 — — US disclosed
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2018-05-17 — — US disclosed
EP-3288933-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Musc Foundation for Research Development (US) 2018-03-07 — — EP disclosed
WO-2016176420-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2016-11-03 — — WO 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-10370328-B2 Oxindole compounds and pharmaceutical compositions thereof PARK7, OPRK1, COMT PDE4A 1214/4885PDE4B 857/4885PDE4C 1279/4885
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PARK7, OPRK1, COMT PDE4A 1214/4885PDE4B 857/4885PDE4C 1279/4885

“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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