SCHEMBL16021724

SCHEMBL16021724

CC(C)OCCOc1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 3/20 0.45
▸ HPGD P15428 2/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SCN4A P35499 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL16021748 0.85 CHKA (0.46) CHKADRD2DRD4DRD3CYP1A2
SCHEMBL16024121 0.81 CHKA (0.48) CHKADRD2DRD4DRD3CYP1A2
SCHEMBL15220294 0.81 DRD2 (0.58) CHKADRD2DRD4DRD3CYP1A2
SCHEMBL21291349 0.80 CHKA (0.47) CHKADRD2DRD4DRD3CYP1A2
SCHEMBL11487020 0.78 DRD4 (0.45) DRD2DRD4DRD3CYP1A2CYP3A4
SCHEMBL21695408 0.77 RARB (0.49) CHKADRD2DRD4DRD3CYP3A4
SCHEMBL6342735 0.77 NQO1 (0.58) CHKAMAOBMEN1KMT2A
SCHEMBL14173682 0.76 NR1I2 (0.49) CHKADRD2DRD4DRD3CYP1A2
SCHEMBL14832975 0.76 DRD4 (0.44) CHKADRD2DRD4DRD3CYP1A2
SCHEMBL29324799 0.75 KMT2A (0.51) HPGDMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 — — US disclosed
US-10556912-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2020-02-11 — — US disclosed
US-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2019-08-22 — — 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-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2014-09-11 — — 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 (5 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-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B CHKA 1726/4885HPGD 836/4885DRD2 417/4885
US-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B CHKA 1726/4885HPGD 836/4885DRD2 417/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B CHKA 1726/4885HPGD 836/4885DRD2 417/4885
US-20140256936-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B CHKA 1726/4885HPGD 836/4885DRD2 417/4885
US-20160083398-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B CHKA 1726/4885HPGD 836/4885DRD2 417/4885

“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.

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