SCHEMBL11947508

SCHEMBL11947508

Cc1ccc(C#Cc2ccc3c4ccc5c6ccc7c8c(ccc(c9ccc(c%10cccc2c%103)c4c95)c86)C(=O)OC7=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 4/20 0.37
▸ CA12 O43570 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CA1 P00915 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRM5 P41594 3/20 0.31
▸ CHAT P28329 1/20 0.31

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
SCHEMBL17172503 0.82 TYMS (0.41) TYMSMEN1POLBKMT2A
SCHEMBL15843910 0.77 TYMS (0.50) TYMSCA12CA2CA9MEN1
SCHEMBL11947507 0.77 TYMS (0.42) TYMSCA12CA9MEN1POLB
SCHEMBL31087627 0.76 TYMS (0.43) TYMSKCNH2MEN1POLBKMT2A
SCHEMBL4256382 0.76 TYMS (0.44) TYMSCA2CA1MEN1POLB
SCHEMBL14003684 0.74 MAPT (0.49) TYMSMEN1POLBKMT2A
SCHEMBL11947506 0.74 MAPT (0.49) TYMSMEN1POLBKMT2A
SCHEMBL17151423 0.72 ANPEP (0.46) MEN1KMT2A
SCHEMBL28740199 0.72 CA12 (0.44) TYMSCA12CA2CA9KCNH2
SCHEMBL17172502 0.71 TYMS (0.53) TYMSMEN1POLBKMT2A

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 TYMS 4147/4885CA12 2135/4885CA2 1388/4885
US-20080269482-A1 Use of Rylene Derivatives as Photosensitizers in Solar Cells NR2E3, NR2E1, NR1D2 TYMS 4154/4885CA12 2183/4885CA2 1415/4885

“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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