SCHEMBL17617014

SCHEMBL17617014

CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3sc(-c4ccccc4)cc3C3=C(c4cc(-c5ccccc5)sc42)C(F)(F)C(F)(F)C3(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.32
PTP4A3 O75365 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PRKDC P78527 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
SCHEMBL10002014 0.94 PRKDC (0.34) PRKDC
SCHEMBL17617024 0.90 MAPT (0.36) KDM4EMAPK1GFERNPSR1
SCHEMBL17617020 0.89
SCHEMBL17617017 0.88 PRKDC (0.32) PRKDC
SCHEMBL17617023 0.88 HSD11B1 (0.32) PRKDC
SCHEMBL17617021 0.88 PRKDC (0.32) PRKDC
SCHEMBL15275329 0.87 PTP4A3 (0.36) HSD17B1PTP4A3
SCHEMBL17617015 0.85 HDAC6 (0.38) KDM4EMAPK1NPSR1PRKDC
SCHEMBL17617022 0.84 PRKDC (0.35) PRKDC
SCHEMBL20147035 0.82

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 HSD17B1 1685/4885PTP4A3 2139/4885KDM4E 1996/4885

“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.