SCHEMBL17237769

SCHEMBL17237769

COc1ccc(C(=O)C=Cc2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.67
▸ PTPN1 P18031 1/20 0.61
▸ ABCG2 Q9UNQ0 2/20 0.57
▸ APP P05067 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ TNFRSF1A P19438 1/20 0.52
▸ HSPE1 P61604 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GPR52 Q9Y2T5 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL5318918 0.93 ABCG2 (0.65) MAOBPTPN1ABCG2APPMEN1
SCHEMBL4883621 0.93 ABCG2 (0.65) MAOBPTPN1ABCG2APPMEN1
SCHEMBL8052896 0.87 MAOB (0.61) MAOBPTPN1ABCG2APPALDH1A1
SCHEMBL8064391 0.87 PTPN1 (0.56) MAOBPTPN1ABCG2APPMEN1
SCHEMBL1682157 0.87 MAOB (0.66) MAOBPTPN1ABCG2APPALDH1A1
SCHEMBL8052936 0.86 PTPN1 (0.57) MAOBPTPN1ABCG2APPMEN1
SCHEMBL27705775 0.85 MAOB (0.71) MAOBPTPN1ABCG2APPALDH1A1
SCHEMBL27705774 0.85 MAOB (0.71) MAOBPTPN1ABCG2APPALDH1A1
SCHEMBL30066569 0.84 MAOB (0.69) MAOBPTPN1ABCG2ALDH1A1MAPT
SCHEMBL30066572 0.84 MAOB (0.69) MAOBPTPN1ABCG2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143878-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-05-26 — — US disclosed
US-20150322033-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2015-11-12 — — US 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-20160143878-A1 ANTIBACTERIAL AGENT MRPL21, Q6ZSR9, NQO2 MAOB 1407/4885PTPN1 2714/4885ABCG2 272/4885
US-20150322033-A1 ANTIBACTERIAL AGENT Q6ZSR9, MRPL21, NQO2 MAOB 1370/4885PTPN1 2720/4885ABCG2 278/4885

“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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