SCHEMBL4581765

SCHEMBL4581765

CCCCCC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CCCCC)cc5)c5c6ccc(Br)c7cccc(c2c45)c76)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.35
▸ ANPEP P15144 3/20 0.33
▸ DPP4 P27487 3/20 0.33
▸ CNR2 P34972 5/20 0.33
▸ CNR1 P21554 4/20 0.33
▸ TP53 P04637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ BCL2 P10415 2/20 0.31
▸ BCL2L1 Q07817 2/20 0.31
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL3580743 0.89 ANPEP (0.35) MCL1ANPEPDPP4TP53L3MBTL1
SCHEMBL4582048 0.89 MCL1 (0.34) MCL1ANPEPDPP4CNR2CNR1
SCHEMBL7746465 0.88 ANPEP (0.38) MCL1ANPEPDPP4TP53L3MBTL1
SCHEMBL4582896 0.87 CYP1B1 (0.36) MCL1ANPEPDPP4TP53L3MBTL1
SCHEMBL4583303 0.86 MCL1 (0.32) MCL1ANPEPDPP4CNR2CNR1
SCHEMBL4583514 0.85 MCL1 (0.32) MCL1ANPEPDPP4CNR2CNR1
SCHEMBL4582458 0.85 MCL1 (0.33) MCL1BCL2BCL2L1
SCHEMBL26420378 0.83 ANPEP (0.39) MCL1ANPEPDPP4TP53L3MBTL1
SCHEMBL4582371 0.83 MCL1 (0.32) MCL1L3MBTL1
SCHEMBL4582292 0.83 ANPEP (0.41) ANPEPDPP4TP53L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MCL1 2857/4885ANPEP 3881/4885DPP4 4497/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 MCL1 2934/4885ANPEP 3872/4885DPP4 4500/4885

“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.

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