SCHEMBL431876

SCHEMBL431876

c1ccc(-c2ccccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.66
GGPS1 O95749 1/20 0.47
PRKDC P78527 6/20 0.46
PTGES2 Q9H7Z7 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
ATM Q13315 1/20 0.41
AHR P35869 1/20 0.41
MAOA P21397 2/20 0.40
CDC14B O60729 2/20 0.39
CDC14A Q9UNH5 2/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL16582801 0.96 ALOX5 (0.70) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL24171048 0.94 ALOX5 (0.68) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL12324537 0.91 ALOX5 (0.64) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL16182136 0.91 ALOX5 (0.57) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL30257190 0.91 ALOX5 (0.64) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL18698053 0.91 ALOX5 (0.64) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL16182153 0.91 ALOX5 (0.57) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL16182148 0.91 ALOX5 (0.57) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL11712766 0.90 ALOX5 (0.63) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL18252280 0.90 ALOX5 (0.59) ALOX5GGPS1PRKDCPTGES2PIK3CD

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 2991/4885GGPS1 1106/4885PRKDC 4868/4885

“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.