SCHEMBL17617023

SCHEMBL17617023

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
CNR1 P21554 1/20 0.32
PRKDC P78527 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
GCGR P47871 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 0.94 PRKDC (0.34) PRKDC
SCHEMBL17617016 0.91 IKBKB (0.32) PRKDC
SCHEMBL17617017 0.89 PRKDC (0.32) PRKDC
SCHEMBL17617021 0.89 PRKDC (0.32) PRKDC
SCHEMBL17617014 0.88 HSD17B1 (0.32) PRKDC
SCHEMBL17617015 0.85 HDAC6 (0.38) PRKDC
SCHEMBL17617022 0.84 PRKDC (0.35) PRKDC
SCHEMBL15183076 0.83 CYP1A2 (0.34) CYP1A2
SCHEMBL14838368 0.83 ESR1 (0.36) HSD11B1CNR1PRKDCCYP1A2CYP3A4
SCHEMBL17617020 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 HSD11B1 783/4885CNR1 259/4885PRKDC 1839/4885

“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.