SCHEMBL17280371

SCHEMBL17280371

Cc1cc2c(OC(=O)OC(C)(C)C)c3c(c(-c4ccc(C#N)cc4)c2cc1C)C(=O)OC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
IMPDH2 P12268 1/20 0.34
PRF1 P14222 1/20 0.34
TP53 P04637 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
ATM Q13315 1/20 0.32
PADI4 Q9UM07 1/20 0.31
AR P10275 2/20 0.31
EGLN2 Q96KS0 2/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL15920784 0.91 KDM4E (0.55) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280354 0.88 KDM4E (0.46) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280368 0.87 KDM4E (0.46) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280365 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280374 0.87 KDM4E (0.47) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280366 0.86 KDM4E (0.44) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280357 0.83 KDM4E (0.65) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280353 0.83 MAPT (0.57) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280372 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTNPSR1MEN1
SCHEMBL17280378 0.83 KDM4E (0.43) ALDH1A1KDM4EMAPTNPSR1MEN1

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 ALDH1A1 241/4885KDM4E 3104/4885MAPT 3028/4885

“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.