SCHEMBL17617022

SCHEMBL17617022

CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3sc(-c4ccc(C5(C)OCCO5)cc4)cc3C3=C(c4cc(-c5ccc(C6(C)OCCO6)cc5)sc42)C(F)(F)C(F)(F)C3(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10002014 0.89 PRKDC (0.34) PRKDC
SCHEMBL14838367 0.88 PRKDC (0.36) PRKDCSMN1; SMN2MEN1LMNAPABPC1
SCHEMBL17617017 0.84 PRKDC (0.32) PRKDC
SCHEMBL17617023 0.84 HSD11B1 (0.32) PRKDC
SCHEMBL17617021 0.84 PRKDC (0.32) PRKDC
SCHEMBL17617014 0.84 HSD17B1 (0.32) PRKDC
SCHEMBL17617015 0.82 HDAC6 (0.38) PRKDCMEN1KMT2A
SCHEMBL17617024 0.79 MAPT (0.36) SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL17617020 0.78
SCHEMBL15183074 0.77 TNKS (0.34)

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 PRKDC 1839/4885SMN1; SMN2 4872/4885MEN1 4315/4885

“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.