SCHEMBL14838367

SCHEMBL14838367

CC(C)(C)c1ccc(-c2sc(-c3ccc(C4(C)OCCO4)cc3)cc2C2=C(c3cc(-c4ccc(C5(C)OCCO5)cc4)sc3-c3ccc(C(C)(C)C)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.36
EP300 Q09472 7/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CREBBP Q92793 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17617022 0.88 PRKDC (0.35) PRKDCSMN1; SMN2LMNAMEN1PABPC1
SCHEMBL10002015 0.86 ESR1 (0.41) PRKDCEP300KMT2AESR1ESR2
SCHEMBL14838269 0.82 HSD17B1 (0.42) PRKDCEP300ESR1ESR2CREBBP
SCHEMBL14838368 0.81 ESR1 (0.36) PRKDCEP300SMN1; SMN2ESR1ESR2
SCHEMBL14838529 0.81 ESR1 (0.52) PRKDCEP300LMNAESR1ESR2
SCHEMBL14838332 0.81 ESR1 (0.39) PRKDCEP300ESR1ESR2CREBBP
SCHEMBL14838268 0.81 ESR1 (0.36) PRKDCEP300ESR1ESR2CREBBP
SCHEMBL14838342 0.79 HDAC6 (0.41) PRKDCEP300MEN1KMT2AESR1
SCHEMBL14838514 0.79 OPRD1 (0.39) SMN1; SMN2LMNAMEN1KMT2AESR1
SCHEMBL21695432 0.76 ESR1 (0.33) PRKDCEP300ESR1ESR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556912-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2020-02-11 US disclosed
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
US-9227986-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2016-01-05 US disclosed
US-9227986-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2016-01-05 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 US disclosed
WO-2013044371-A1 PHOTOCHROMIC AND ELECTROCHROMIC DIARYLCYCLOPENTENE DERIVATIVES AS OPTICAL FILTERS SWITCH MATERIALS, INC. (CA) 2013-04-04 WO 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 (3 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-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B PRKDC 1839/4885EP300 73/4885SMN1; SMN2 4872/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B PRKDC 1839/4885EP300 73/4885SMN1; SMN2 4872/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B PRKDC 1839/4885EP300 73/4885SMN1; SMN2 4872/4885

“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.