SCHEMBL430104

SCHEMBL430104

c1ccc(-c2cc(-c3cccc4ccccc34)cc3c2sc2ccc(-c4cccc5ccccc45)cc23)c(-c2ccccc2-c2cc(-c3cccc4ccccc34)cc3c2sc2ccc(-c4cccc5ccccc45)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
MCL1 Q07820 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PRKDC P78527 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
F9 P00740 1/20 0.35
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL788651 0.88 ALOX5 (0.42) ALOX5MCL1ACMSDCA12CA1
SCHEMBL4549319 0.88 ALOX5 (0.42) ALOX5MCL1ACMSDCA12CA1
SCHEMBL431844 0.87 ALOX5 (0.43) ALOX5PRKDCMAPTPIM1PIM2
SCHEMBL14410440 0.86 MCL1 (0.47) ALOX5MCL1ACMSDCA12CA1
SCHEMBL10227379 0.86 ALOX5 (0.40) ALOX5MCL1ACMSDCA12CA1
SCHEMBL8281355 0.84 ALDH1A1 (0.47) ALOX5MCL1ACMSDCA12CA1
SCHEMBL24363200 0.83 ALOX5 (0.41) ALOX5MCL1ACMSDCA12CA1
SCHEMBL24969758 0.82 CYP1A2 (0.41) ALOX5MCL1ACMSDCA12CA1
SCHEMBL8281213 0.82 RAB9A (0.46) ALOX5MCL1ACMSDMAPTALDH1A1
SCHEMBL4549324 0.81 CA12 (0.40) ALOX5MCL1ACMSDCA12CA1

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-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 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-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP2J2, CYP1A1, CRY1 ALOX5 2991/4885MCL1 4191/4885ACMSD 2606/4885

“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.