SCHEMBL2389040

SCHEMBL2389040

C#Cc1c2ccccc2cc2cccc(-c3ccc(-c4ccc(-c5cccc6cc7ccccc7c(C#C)c56)cc4)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ERBB2 P04626 1/20 0.40
CYP1A2 P05177 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL186912 0.98 CES1 (0.42) CES1ALDH1A1HPGDERBB2CYP1A2
SCHEMBL29663912 0.98 CES1 (0.42) CES1ALDH1A1HPGDERBB2CYP1A2
Anthracene SCHEMBL28247073 0.97 CES1 (0.41) CES1ALDH1A1HPGDERBB2CYP1A2
SCHEMBL20657064 0.94 CES1 (0.41) CES1ALDH1A1HPGDERBB2CYP1A2
SCHEMBL9936772 0.80 CES1 (0.39) CES1ALDH1A1HPGDERBB2CYP1A2
SCHEMBL9937173 0.78 PABPC1 (0.43) CES1ALDH1A1HPGDERBB2CYP1A2
SCHEMBL28228482 0.77 SQOR (0.44) CES1ALDH1A1HPGDERBB2CYP1A2
SCHEMBL738593 0.76 ALDH1A1 (0.44) ALDH1A1HPGDERBB2CYP1A2FYN
Benzene SCHEMBL28903867 0.74 ALDH1A1 (0.45) ALDH1A1HPGDERBB2CYP1A2FYN
SCHEMBL4845570 0.74 CES1 (0.61) CES1ALDH1A1HPGDERBB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935919-B1 POLYMER CONTAINING SULFO GROUP AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE POLYMER YAMAMOTO CHEMICALS INC (JP) 2012-09-05 EP disclosed
EP-1221434-B1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC (JP) 2012-06-27 EP disclosed
US-8012608-B2 Polymer containing sulfo group and organic electroluminescent element containing the polymer Yamamoto Chemcials, Inc. (JP) 2011-09-06 US disclosed
US-20090230851-A1 Polymer Containing Sulfo Group and Organic Electroluminescent Element Containing the Polymer MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1935919-A1 POLYMER CONTAINING SULFO GROUP AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE POLYMER Mitsui Chemicals, Inc. (JP) 2008-06-25 EP disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-20050240061-A1 Functional thin film JAPAN SCIENCE AND TECHNOLOGY AGENCY 2005-10-27 US disclosed
US-6929870-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-08-16 US disclosed
US-20050074631-A1 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2005-04-07 US disclosed
EP-1493796-A1 FUNCTIONAL THIN FILM Japan Science and Technology Agency (JP) 2005-01-05 EP disclosed
US-20030087126-A1 Hydrocarbon compound, material for organic electroluminescent element and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2003-05-08 US disclosed
EP-1221434-A1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsui Chemicals, Inc. (JP) 2002-07-10 EP 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-20050240061-A1 Functional thin film H1-10, H1-0, H1-2 CES1 3777/4885ALDH1A1 1285/4885HPGD 4240/4885

“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.