SCHEMBL17617015

SCHEMBL17617015

CC(=O)c1ccc(-c2cc3c(s2)C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)c2sc(-c4ccc(C(C)=O)cc4)cc2C2=C3C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.38
NR1H4 Q96RI1 2/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 2/20 0.32
STK17B O94768 1/20 0.32
PRKDC P78527 1/20 0.32
KDM4E B2RXH2 4/20 0.32
NPSR1 Q6W5P4 4/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
MAPK1 P28482 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 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
SCHEMBL17617024 0.96 MAPT (0.36) HDAC6NR1H4EPHX2MEN1KMT2A
SCHEMBL10002014 0.90 PRKDC (0.34) PRKDC
SCHEMBL17617017 0.87 PRKDC (0.32) PRKDC
SCHEMBL14838342 0.85 HDAC6 (0.41) HDAC6NR1H4EPHX2HTTMEN1
SCHEMBL17617021 0.85 PRKDC (0.32) PRKDC
SCHEMBL17617023 0.85 HSD11B1 (0.32) PRKDC
SCHEMBL17617014 0.85 HSD17B1 (0.32) PRKDCKDM4ENPSR1MAPK1
SCHEMBL17617022 0.82 PRKDC (0.35) MEN1KMT2APRKDC
SCHEMBL14832761 0.81 MAPT (0.39) HDAC6NR1H4EPHX2MEN1KMT2A
SCHEMBL20147035 0.79

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-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2016-03-24 US disclosed
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2016-03-24 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-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B HDAC6 2260/4885NR1H4 929/4885EPHX2 49/4885

“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.