SCHEMBL17036306

SCHEMBL17036306

Cc1cccc(C)c1N(c1ccc(-c2cc3ccccc3c3c2oc2ccccc23)cc1)c1ccc2ccc3c(N(c4ccc(-c5cc6ccccc6c6c5oc5ccccc56)cc4)c4c(C)cccc4C)ccc4ccc1c2c43

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GPR84 Q9NQS5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 2/20 0.30
MAOA P21397 2/20 0.30
ERBB2 P04626 1/20 0.30
FYN P06241 1/20 0.30
ACHE P22303 1/20 0.30
AHR P35869 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL17036279 0.91 ADORA3 (0.34) ADORA3ADORA2AADORA1TDP1L3MBTL1
SCHEMBL17036324 0.91 TDP1 (0.34) TDP1L3MBTL1
SCHEMBL12206328 0.86 ALOX5 (0.41) RAB9A
SCHEMBL16419347 0.84 TDP1 (0.36) TDP1L3MBTL1KDM4EALDH1A1RAB9A
SCHEMBL17036296 0.84 TDP1 (0.32) TDP1L3MBTL1
SCHEMBL19770457 0.84 CYP1A2 (0.39) ADORA3ADORA2AADORA1GPR84TDP1
SCHEMBL17036311 0.84 MAOA (0.31) TDP1L3MBTL1MAOBALDH1A1MAOA
SCHEMBL17589623 0.83 ADORA3 (0.39) ADORA3ADORA2AADORA1TDP1L3MBTL1
SCHEMBL16419379 0.83 ADORA3 (0.34) ADORA3ADORA2AADORA1TDP1L3MBTL1
SCHEMBL17036305 0.83 ALOX5 (0.39)

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-20150243892-A1 Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 US disclosed
US-20150243892-A1 Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 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-20150243892-A1 Organic Compound, Light-Emitting Element, Display Module, Lighting Module, Light-Emitting Device, Display Device, Electronic Device, and Lighting Device ESR1, EHD1, DDT ADORA3 4029/4885ADORA2A 3033/4885ADORA1 3729/4885

“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.