SCHEMBL431844

SCHEMBL431844

c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)cc3c2sc2ccc(-c4cc5ccccc5c5ccccc45)cc23)c(-c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)cc3c2sc2ccc(-c4cc5ccccc5c5ccccc45)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CYP11B1 P15538 1/20 0.38
MAPT P10636 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
LIMK1 P53667 2/20 0.32
TRPM4 Q8TD43 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MPI P34949 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
SCHEMBL4549323 0.91 ALOX5 (0.40) ALOX5ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL4549319 0.89 ALOX5 (0.42) ALOX5ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL430104 0.87 ALOX5 (0.47) ALOX5ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL4549312 0.84 LIMK1 (0.40) ALOX5ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL4549321 0.83 LIMK1 (0.41) ALOX5ALDH1A1HPGDCYP11B1MAPT
SCHEMBL4549306 0.83 LIMK1 (0.41) ALOX5ALDH1A1HPGDCYP11B1MAPT
SCHEMBL4549324 0.83 CA12 (0.40) ALOX5ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL4549320 0.82 CYP11B1 (0.35) ALOX5ALDH1A1HPGDHIF1AHSD17B10
SCHEMBL440618 0.81 ALOX5 (0.34) ALOX5MAPTKDM4EMEN1KMT2A
SCHEMBL4549325 0.81 ESR1 (0.36) ALOX5ALDH1A1HPGDHIF1AHSD17B10

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 2991/4885ALDH1A1 42/4885HPGD 283/4885

“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.