SCHEMBL21631279

SCHEMBL21631279

CCCCC#Cc1cc2c3c(cccc3c1)C(=O)OC2=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 12/20 0.45
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ TNK2 Q07912 1/20 0.34

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
SCHEMBL29713399 1.00 TYMS (0.45) TYMSTDP1CYP1B1GRM5KCNH2
SCHEMBL21650723 0.92 TYMS (0.47) TYMSCYP1B1
SCHEMBL29713417 0.81 ERCC1 (0.49) TDP1CYP1B1TNK2
SCHEMBL21631246 0.81 ERCC1 (0.49) TDP1CYP1B1TNK2
SCHEMBL20801123 0.80 TDP1 (0.50) TDP1CYP1B1
SCHEMBL28176820 0.74 TYMS (0.51) TYMSTDP1CYP1B1
SCHEMBL18069179 0.74 TYMS (0.44) TYMSTDP1CYP1B1KCNH2
SCHEMBL21650724 0.73 ERCC1 (0.51) TDP1CYP1B1
SCHEMBL20801124 0.73 TDP1 (0.43) TDP1CYP1B1KCNH2TNK2
SCHEMBL3851765 0.73 TYMS (0.58) TYMS

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-11150555-B2 Photoacid generator and chemically amplified positive-type photoresist composition for thick film comprising the same LG CHEM, LTD. (KR) 2021-10-19 — — US disclosed
US-11150555-B2 Photoacid generator and chemically amplified positive-type photoresist composition for thick film comprising the same LG CHEM, LTD. (KR) 2021-10-19 — — US disclosed
US-20200033724-A1 PHOTOACID GENERATOR AND CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTORESIST COMPOSITION FOR THICK FILM COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-01-30 — — US disclosed
US-20200033724-A1 PHOTOACID GENERATOR AND CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTORESIST COMPOSITION FOR THICK FILM COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-01-30 — — 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-20200033724-A1 PHOTOACID GENERATOR AND CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTORESIST COMPOSITION FOR THICK FILM COMPRISING THE SAME ASIC1, PPA1, ATP6AP1 TYMS 2757/4885TDP1 1885/4885CYP1B1 4413/4885
US-11150555-B2 Photoacid generator and chemically amplified positive-type photoresist composition for thick film comprising the same ASIC1, PPA1, ATP6AP1 TYMS 2757/4885TDP1 1885/4885CYP1B1 4413/4885

“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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