SCHEMBL12168643

SCHEMBL12168643

CC(=O)/C=C(\O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.61
TDP1 Q9NUW8 2/20 0.58
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
CYP1B1 Q16678 1/20 0.47
GSK3B P49841 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL9609546 0.84 MAPK1 (0.63) MAPK1TDP1CES1CA1CA2
SCHEMBL15515489 0.81 CES1 (0.62) MAPK1TDP1CES1CA1CA2
SCHEMBL28594479 0.81 TDP1 (0.61) MAPK1TDP1CES1CA1CA2
SCHEMBL1259142 0.79 MAPK1 (0.61) MAPK1TDP1CES1CA1CA2
SCHEMBL3029025 0.79 MAPK1 (0.61) MAPK1TDP1CES1CA1CA2
SCHEMBL14402968 0.79 MAPK1 (0.61) MAPK1TDP1CES1CA1CA2
Acetic Acid SCHEMBL27877969 0.78 MAPK1 (0.71) MAPK1TDP1CES1CA1CA2
Acetic Acid SCHEMBL28719519 0.77 MAPK1 (0.92) MAPK1TDP1CES1CA1CA2
SCHEMBL27765 0.77 MAPK1 (1.00) MAPK1TDP1CES1CA1CA2
SCHEMBL8726612 0.77 MAPK1 (0.69) MAPK1TDP1CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230129578-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
US-20120231385-A1 ELECTROPHOTOGRAPHIC TONER SET KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-09-13 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 (1 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-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS MAPK1 4785/4885TDP1 1744/4885CES1 1301/4885

“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.