SCHEMBL4583232

SCHEMBL4583232

CCCCCC(C)(C)c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc(C(C)(C)CCCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 8/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CRHBP P24387 2/20 0.49
KMT2A Q03164 2/20 0.49
CRHR2 Q13324 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
TLR9 Q9NR96 1/20 0.49
CNR2 P34972 3/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
RORC P51449 1/20 0.40
POLB P06746 1/20 0.40
MGLL Q99685 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8743943 0.93 CNR2 (0.49) MAPTALDH1A1CRHBPKMT2ACRHR2
SCHEMBL22540967 0.81 ALDH1A1 (0.47) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL412528 0.81 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1CRHBPKMT2A
SCHEMBL2078826 0.79 CNR2 (0.50) CNR2
SCHEMBL4581678 0.77 CNR2 (0.49) CNR2
SCHEMBL4581334 0.77 CNR2 (0.56) MAPTALDH1A1L3MBTL1CNR2CYP1A2
SCHEMBL1128187 0.77 ALDH1A1 (0.46) ALDH1A1CNR2
SCHEMBL14390805 0.76 CNR2 (0.48) CNR2MGLL
SCHEMBL14419136 0.76 CNR2 (0.48) CNR2MGLL
SCHEMBL12657334 0.75 CNR2 (0.45) CNR2HDAC3HDAC1HDAC2

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 5 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

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 MAPT 4643/4885ALDH1A1 4248/4885L3MBTL1 2444/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 MAPT 4655/4885ALDH1A1 4269/4885L3MBTL1 2559/4885

“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.