SCHEMBL17036276

SCHEMBL17036276

Cc1cccc(C)c1N(c1cccc(-c2cccc3c2oc2ccc4ccccc4c23)c1)c1ccc2ccc3c(N(c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c4)c4c(C)cccc4C)ccc4ccc1c2c43

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 1/20 0.36
AHR P35869 3/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALOX5 P09917 1/20 0.32
KMT2A Q03164 2/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL12206426 0.90 ALOX5 (0.42) CYP1A1CYP1A2CYP1B1ALOX5PRKDC
SCHEMBL17036323 0.90 AHR (0.33) CYP1A1CYP1A2CYP1B1AHRMAOA
SCHEMBL17036311 0.90 MAOA (0.31) MAOAMAOBALOX5KMT2ACYP3A4
SCHEMBL17036277 0.89 ALOX5 (0.33) CYP1A1CYP1A2CYP1B1ALOX5PRKDC
SCHEMBL17036279 0.85 ADORA3 (0.34) CYP1A1CYP1A2CYP1B1MAOAMAOB
SCHEMBL17036270 0.85 ALOX5 (0.41) CYP1A1CYP1A2CYP1B1ALOX5PRKDC
SCHEMBL17036274 0.83 ALOX5 (0.40) CYP1A1CYP1A2CYP1B1MAOAALOX5
SCHEMBL17036293 0.82 L3MBTL1 (0.33) CYP1A2MAOAMAOBKMT2AMEN1
SCHEMBL16419348 0.82 ALDH1A1 (0.35) CYP1A1CYP1A2AHRMAOAMAOB
SCHEMBL12206422 0.82 ALOX5 (0.42) CYP1A1CYP1A2CYP1B1ALOX5PRKDC

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 CYP1A1 72/4885CYP1A2 534/4885CYP1B1 544/4885

“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.