SCHEMBL17280337

SCHEMBL17280337

COc1c2c(c(OP)c3ccccc13)CCC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36

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
SCHEMBL17280326 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17280332 0.78 KDM4E (0.44) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17718563 0.75 KDM4E (0.52) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8420319 0.68 CHEK1 (0.41) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL757747 0.66 KDM4E (0.82) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL7525425 0.65 KDM4E (0.46) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL23271852 0.64 ALDH1A1 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL30003354 0.64 ALDH1A1 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL29366129 0.64 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL52405 0.64 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT

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-9650355-B2 Method for preparation of justicidin a derivatives of arylnaphthalene lignan structure KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-05-16 US disclosed
US-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-26 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 (1 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-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE UGT1A8, NOTUM, MLN KDM4E 3104/4885ALDH1A1 241/4885HPGD 884/4885

“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.