SCHEMBL14554602

SCHEMBL14554602

O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1ccccc1c2O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
MAPT P10636 4/20 0.71
ALDH1A1 P00352 4/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
HPGD P15428 3/20 0.71
NPSR1 Q6W5P4 2/20 0.71
HTT P42858 2/20 0.71
LMNA P02545 2/20 0.71
ALOX5 P09917 6/20 0.59
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
TNKS O95271 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45

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
Taiwanin E SCHEMBL15363973 0.92 MEN1 (0.82) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL23065639 0.89 MEN1 (0.77) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14554774 0.88 KDM4E (0.72) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL10018117 0.86 MEN1 (0.78) KDM4EMAPTALDH1A1MEN1KMT2A
Diphyllin SCHEMBL1061765 0.83 ALDH1A1 (1.00) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL23686043 0.83 MEN1 (0.70) KDM4EMAPTALDH1A1MEN1KMT2A
Diphyllin SCHEMBL30887017 0.83 ALDH1A1 (1.00) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2958006 0.83 MEN1 (0.63) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL23065672 0.81 ALDH1A1 (0.90) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL23686045 0.81 MEN1 (0.76) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230149-A1 ARYLNAPHTHALENE COMPOUNDS AS VACUOLAR-ATPASE INHIBITORS AND THE USE THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-07-29 US disclosed
US-8957230-B2 Synthesis of cleistanthin A and derivatives thereof GODAVARI BIOREFINERIES LIMITED (IN) 2015-02-17 US disclosed
US-20130012727-A1 SYNTHESIS OF CLEISTANTHIN A AND DERIVATIVES THEREOF GODAVARI BIOREFINERIES LIMITED 2013-01-10 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-20130012727-A1 SYNTHESIS OF CLEISTANTHIN A AND DERIVATIVES THEREOF STT3A, DDOST, MAGT1 KDM4E 1188/4885MAPT 3436/4885ALDH1A1 1981/4885
US-20210230149-A1 ARYLNAPHTHALENE COMPOUNDS AS VACUOLAR-ATPASE INHIBITORS AND THE USE THEREOF VCP, ATP6V1H, NSF KDM4E 3372/4885MAPT 1923/4885ALDH1A1 1609/4885

“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.