SCHEMBL4581674

SCHEMBL4581674

CC(C)(C)CC(C)(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(C(C)(C)CC(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
CYP3A4 P08684 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HIF1A Q16665 3/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 4/20 0.33
USP2 O75604 4/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
TP53 P04637 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 3/20 0.33
APAF1 O14727 2/20 0.33
LMNA P02545 2/20 0.33
ERBB2 P04626 2/20 0.33
FYN P06241 2/20 0.33

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
SCHEMBL415673 1.00 SHBG (0.50) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL29065752 0.85 SHBG (0.53) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL12780419 0.83 SHBG (0.52) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL412429 0.81 SHBG (0.50) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL14825135 0.79 SHBG (0.47) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL14848456 0.79 SHBG (0.47) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL18286393 0.79 SHBG (0.47) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL800957 0.78 TSHR (0.42) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL4263451 0.78 TSHR (0.42) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL9956810 0.78 TSHR (0.42) SMN1; SMN2MEN1MAPTKMT2AALDH1A1

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120283432-A1 USE OF RYLENE DERIVATIVES AS PHOTOSENSITIZERS IN SOLAR CELLS NR2E3, NR2E1, NR1D2 SHBG 1923/4885CYP3A4 428/4885SMN1; SMN2 4359/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 SHBG 1957/4885CYP3A4 434/4885SMN1; SMN2 4371/4885

“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.