SCHEMBL431469

SCHEMBL431469

c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)cc3c2oc2ccc(-c4cc5ccccc5c5ccccc45)cc23)c(-c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)cc3c2oc2ccc(-c4cc5ccccc5c5ccccc45)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CASP1 P29466 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP11B1 P15538 1/20 0.38
KDM4E B2RXH2 7/20 0.36
MAPT P10636 4/20 0.36
GLA P06280 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HNF4A P41235 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP7 P55210 1/20 0.35
GAA P10253 2/20 0.34
PTPRC P08575 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
SCHEMBL4549403 0.91 ALOX5 (0.40) ALOX5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL4549393 0.89 ALOX5 (0.42) ALOX5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL12069161 0.87 ALOX5 (0.50) ALOX5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL431943 0.87 ALOX5 (0.47) ALOX5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL1635906 0.85 ALOX5 (0.43) ALOX5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL12069425 0.85 CYP11B1 (0.46) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL18820623 0.84 ALOX5 (0.46) ALOX5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL20739665 0.84 CYP11B1 (0.39) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL25052696 0.84 ALOX5 (0.43) ALOX5ALDH1A1HPGDTSHRHSD17B10
SCHEMBL4549395 0.84 PLA2G2A (0.40) ALOX5ALDH1A1HPGDTSHRHSD17B10

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.