SCHEMBL868423

SCHEMBL868423

c1ccc2c(c1)ccc1c2cc2c3cccc4cccc(c43)c3c4ccc5ccccc5c4cc1c23

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
CYP1A2 P05177 5/20 0.58
HSD17B10 Q99714 5/20 0.58
HPGD P15428 3/20 0.58
THRB P10828 1/20 0.58
FYN P06241 2/20 0.57
ACHE P22303 2/20 0.57
AHR P35869 2/20 0.57
ERBB2 P04626 1/20 0.57
MAOA P21397 1/20 0.57
HPRT1 P00492 4/20 0.56
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2A6 P11509 1/20 0.48
HIF1A Q16665 2/20 0.46
CYP1B1 Q16678 1/20 0.46
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL8321936 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL4851543 0.94 ALDH1A1 (0.60) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL5482548 0.92 ALDH1A1 (0.64) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL5481478 0.90 CYP1A2 (0.66) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL4851977 0.90 HPRT1 (0.64) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL1255241 0.88 CYP1A2 (0.68) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL29452846 0.88 CYP1A2 (0.55) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL136007 0.88 CYP1A2 (0.55) ALDH1A1CYP1A2HSD17B10HPGDTHRB
Chrysene SCHEMBL18546560 0.87 HSD17B10 (0.75) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL2233815 0.87 HSD17B10 (0.75) ALDH1A1CYP1A2HSD17B10HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US claimed
US-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US claimed
US-20060141287-A1 OLEDs with improved operational lifetime EASTMAN KODAK COMPANY 2006-06-29 US claimed
US-20060040131-A1 OLEDs with improved operational lifetime EASTMAN KODAK COMPANY 2006-02-23 US claimed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US claimed
WO-2005040303-A1 AGGREGATE ORGANIC LIGHT EMITTING DIODE DEVICES EASTMAN KODAK COMPANY (US) 2005-05-06 WO claimed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US claimed
US-8513445-B2 Polycyclic aromatic molecular semiconductors and related compositions and devices POLYERA CORPORATION (US) 2013-08-20 US disclosed
US-20120074394-A1 Polycyclic Aromatic Molecular Semiconductors and Related Compositions and Devices FLEXTERRA, INC. 2012-03-29 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-20120074394-A1 Polycyclic Aromatic Molecular Semiconductors and Related Compositions and Devices KYNU, SMARCC2, TRPA1 ALDH1A1 4131/4885CYP1A2 2254/4885HSD17B10 4415/4885

“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.