SCHEMBL431460

SCHEMBL431460

c1ccc(-c2cccc3c2oc2c(-c4cccc5ccccc45)cccc23)c(-c2ccccc2-c2cccc3c2oc2c(-c4cccc5ccccc45)cccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CB P42338 1/20 0.47
PRKDC P78527 1/20 0.47
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 7/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 2/20 0.42
ALOX5 P09917 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 4/20 0.41
MAPK1 P28482 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL1637338 0.94 KDM4E (0.47) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL18820598 0.91 ALDH1A1 (0.47) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL23989047 0.87 ALDH1A1 (0.50) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL24811899 0.87 CYP1A2 (0.50) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL19651715 0.86 ALOX5 (0.58) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL1637385 0.84 ALOX5 (0.49) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL1636216 0.83 ALOX5 (0.47) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL24502117 0.82 ALOX5 (0.43) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10
SCHEMBL23989063 0.82 MAOB (0.47) PIK3CDPIK3CBPRKDCALOX15ALOX5
SCHEMBL22947312 0.82 ALDH1A1 (0.43) PIK3CDPIK3CBPRKDCALDH1A1HSD17B10

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 PIK3CD 4555/4885PIK3CB 4552/4885PRKDC 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.