SCHEMBL429313

SCHEMBL429313

c1ccc(-c2ccc(-c3cccc4c3oc3c(-c5ccccc5-c5ccccc5-c5cccc6c5oc5c(-c7ccc(-c8ccccc8)cc7)cccc56)cccc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
PRKDC P78527 7/20 0.43
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
BRD4 O60885 2/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
PDE2A O00408 1/20 0.42
PIK3C2A O00443 1/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3C2B O00750 1/20 0.42
PDE5A O76074 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL22151549 0.96 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL430105 0.96 PRKDC (0.46) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL16182124 0.94 PRKDC (0.48) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL1637660 0.92 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL429325 0.92 PRKDC (0.49) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL11713826 0.92 PRKDC (0.47) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL22182957 0.90 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL22174961 0.90 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL22174960 0.90 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL22182840 0.90 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CAPIK3CB

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 2991/4885PRKDC 4868/4885PIK3CD 4555/4885

“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.