SCHEMBL10125873

SCHEMBL10125873

CCCCc1ccc(CCCC)c2oc(-c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.45
MTNR1B P49286 6/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
TDP1 Q9NUW8 2/20 0.40
DHODH Q02127 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHR2 Q13324 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
SCHEMBL10126045 0.98 ESR1 (0.46) MTNR1AMTNR1BESR1ESR2TDP1
SCHEMBL10125874 0.93 MTNR1A (0.43) MTNR1AMTNR1BESR1ESR2TDP1
SCHEMBL10126048 0.86 ESR1 (0.41) MTNR1AMTNR1BESR1ESR2TDP1
SCHEMBL10125863 0.85 DHODH (0.45) MTNR1AMTNR1BESR1ESR2TDP1
SCHEMBL13621037 0.83 MTNR1A (0.47) MTNR1AMTNR1BESR1ESR2DHODH
SCHEMBL10125878 0.81 TDP1 (0.42) MTNR1AMTNR1BTDP1DHODHMEN1
SCHEMBL10125889 0.79 ESR1 (0.45) MTNR1AMTNR1BESR1ESR2TDP1
SCHEMBL10126046 0.78 TDP1 (0.38) MTNR1AMTNR1BESR1ESR2TDP1
SCHEMBL10126051 0.76 ESR1 (0.46) MTNR1AMTNR1BESR1ESR2MEN1
SCHEMBL835217 0.76 ESR1 (0.39) MTNR1AMTNR1BESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119259-B2 Quinoxaline derivative, and light-emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-21 US disclosed
US-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-06-04 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-20090140642-A1 Quinoxaline Derivative, and Light-Emitting Element and Electronic Device Using the Same NDUFA11, NDUFA9, NDUFA12 MTNR1A 658/4885MTNR1B 1389/4885ESR1 696/4885

“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.