SCHEMBL10128088

SCHEMBL10128088

c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 3/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL10128067 0.92 ALDH1A1 (0.36) POLBALDH1A1KDM4ETSHRHPGD
SCHEMBL10128029 0.91 ALOX5 (0.44) PRKDCPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL10128044 0.90 ALOX5 (0.43) PRKDCPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL10128093 0.87 POLB (0.34) PRKDCPOLBALDH1A1KDM4ETSHR
SCHEMBL10128045 0.86 ALOX5 (0.40) PRKDCPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL10128046 0.86 ALOX5 (0.46) PRKDCPIK3CDPIK3CBALDH1A1MAPT
SCHEMBL10128157 0.85 ALOX5 (0.42) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2853941 0.84 POLB (0.47) PRKDCPOLBALDH1A1KDM4ETSHR
SCHEMBL10128032 0.84 ALOX5 (0.45) PRKDCPIK3CDPIK3CBALDH1A1KDM4E
SCHEMBL10128160 0.83 ALOX5 (0.44) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 PRKDC 2900/4885PIK3CD 3364/4885PIK3CA 3800/4885

“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.