SCHEMBL4332773

SCHEMBL4332773

c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.75
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MAPK1 P28482 2/20 0.50
MAOA P21397 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOTUM Q6P988 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
EGFR P00533 1/20 0.48
KMO O15229 1/20 0.48
ALOX5 P09917 1/20 0.48
BACE1 P56817 1/20 0.47
ESR1 P03372 2/20 0.45
ATM Q13315 1/20 0.45
SLC22A2 O15244 1/20 0.45

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
SCHEMBL481505 1.00 ALDH1A1 (0.75) ALDH1A1CRHBPCRHR2MAPK1MAOA
SCHEMBL8452262 1.00 ALDH1A1 (0.75) ALDH1A1CRHBPCRHR2MAPK1MAOA
SCHEMBL5130299 0.96 ALDH1A1 (0.69) ALDH1A1CRHBPCRHR2MAPK1MAOA
SCHEMBL29554408 0.96 ALDH1A1 (0.69) ALDH1A1CRHBPCRHR2MAPK1MAOA
SCHEMBL5321294 0.96 ALDH1A1 (0.69) ALDH1A1CRHBPCRHR2MAPK1MAOA
Ethyne SCHEMBL28106158 0.93 ALDH1A1 (0.64) ALDH1A1CRHBPCRHR2MAPK1MAOA
SCHEMBL19618929 0.93 ALDH1A1 (0.64) ALDH1A1CRHBPCRHR2MAOACYP1A2
SCHEMBL14481975 0.93 ALDH1A1 (0.64) ALDH1A1CRHBPCRHR2MAOACYP1A2
SCHEMBL5873579 0.92 ALDH1A1 (0.61) ALDH1A1CRHBPCRHR2MAPK1MAOA
Biphenyl SCHEMBL5068276 0.91 ALDH1A1 (0.90) ALDH1A1CRHBPCRHR2MAPK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9419239-B2 Composite material, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-16 US disclosed
US-20130009138-A1 COMPOSITE MATERIAL, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND ORGANIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-10 US disclosed
US-20090206743-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-08-20 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-20130009138-A1 COMPOSITE MATERIAL, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND ORGANIC COMPOUND SLCO4C1, INTS9, TRPA1 ALDH1A1 911/4885CRHBP 1266/4885CRHR2 2558/4885

“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.