SCHEMBL4582509

SCHEMBL4582509

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(Nc4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
HSD17B10 Q99714 2/20 0.64
CDC25B P30305 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
ATM Q13315 1/20 0.64
RAB9A P51151 3/20 0.53
MAPT P10636 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GLA P06280 1/20 0.50
RECQL P46063 1/20 0.50
FADS1 O60427 1/20 0.46
NPC1 O15118 2/20 0.44

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
SCHEMBL12955828 0.98 ALDH1A1 (0.62) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL12193003 0.97 ALDH1A1 (0.64) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL29432319 0.95 ALDH1A1 (0.70) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL1034201 0.95 ALDH1A1 (0.70) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL13175115 0.92 ALDH1A1 (0.54) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL30473802 0.91 ALDH1A1 (0.57) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL12955673 0.91 ALDH1A1 (0.57) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL4634959 0.91 ALDH1A1 (0.57) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL12955735 0.91 ALDH1A1 (0.57) ALDH1A1HSD17B10CDC25BTP53CYP3A4
SCHEMBL27755617 0.90 ALDH1A1 (0.79) ALDH1A1HSD17B10CDC25BTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951842-B1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2016-07-27 EP disclosed
US-8501046-B2 Use of rylene derivatives as photosensitizers in solar cells BASF SE (DE) 2013-08-06 US disclosed
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS MAX-PLANCK-GESEL. ZUR FOERDERUNG DER WISSEN. E.V. (DE) 2012-11-08 US disclosed
US-8231809-B2 Solid p-semiconductors may also be used in the inventive dye-sensitized solar cells without increasing the cell resistance, since the rylene derivatives absorb strongly and therefore require only thin n-semiconductor layers BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells BASF SE (DE) 2008-10-30 US disclosed
EP-1951842-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2008-08-06 EP disclosed
WO-2007054470-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS BASF SE (DE) 2007-05-18 WO disclosed
WO-2007020804-A1 ARYLAMINE COMPOUND AND SYNTHETIC METHOD THEREOF SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-02-22 WO disclosed
US-20070037011-A1 Arylamine compound and synthetic method thereof SEMICONDUCTOR ENERGY LABORATORY CO. (JP) 2007-02-15 US disclosed
US-20070037011-A1 Arylamine compound and synthetic method thereof SEMICONDUCTOR ENERGY LABORATORY CO. (JP) 2007-02-15 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 (3 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-20070037011-A1 Arylamine compound and synthetic method thereof AHR, CYP2A13, ARNT ALDH1A1 502/4885HSD17B10 358/4885CDC25B 3319/4885
US-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS NR2E3, NR2E1, NR1D2 ALDH1A1 4248/4885HSD17B10 1009/4885CDC25B 1292/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 ALDH1A1 4269/4885HSD17B10 974/4885CDC25B 1332/4885

“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.