SCHEMBL9604040

SCHEMBL9604040

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GGPS1 O95749 1/20 0.37
PRKDC P78527 2/20 0.37
DHODH Q02127 1/20 0.37
NPC1 O15118 5/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
PDE4C Q08493 3/20 0.34
PTGS2 P35354 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
SCHEMBL9604041 0.94 ALOX5 (0.44) ALOX5ESR1ESR2GGPS1PRKDC
SCHEMBL9603979 0.91 ALOX5 (0.47) ALOX5NPC1TP53KDM4EALDH1A1
SCHEMBL9604037 0.89 ALOX5 (0.46) ALOX5ESR1ESR2GGPS1PRKDC
SCHEMBL17614164 0.87 ALOX5 (0.59) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL12996570 0.87 ALOX5 (0.59) ALOX5GGPS1PRKDCMEN1KMT2A
SCHEMBL15469255 0.85 ALOX5 (0.47) ALOX5GGPS1PRKDCNPC1TP53
SCHEMBL4549381 0.84 ALOX5 (0.51) ALOX5GGPS1PRKDCKDM4EALDH1A1
SCHEMBL8281465 0.84 ALOX5 (0.51) ALOX5GGPS1PRKDCNPC1TP53
SCHEMBL18086164 0.84 ALOX5 (0.56) ALOX5GGPS1PRKDCATMPTGES2
SCHEMBL9604034 0.84 ALOX5 (0.51) ALOX5ESR1ESR2GGPS1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 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-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device XDH, AOX1, CYP4X1 ALOX5 720/4885ESR1 99/4885ESR2 214/4885

“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.