SCHEMBL25602829

SCHEMBL25602829

COCCOC(=O)CCCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
DGKA P23743 1/20 0.50
THRB P10828 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CNR1 P21554 1/20 0.42
HTR2C P28335 1/20 0.41
TSHR P16473 5/20 0.39
BLM P54132 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
LMNA P02545 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL15025084 0.89 DGKA (0.53) CYP1A2DGKATHRBALDH1A1MAPT
SCHEMBL25674435 0.89 DGKA (0.53) CYP1A2DGKATHRBALDH1A1MAPT
SCHEMBL6907501 0.87 DGKA (0.52) CYP1A2DGKATHRBALDH1A1MAPT
SCHEMBL2568519 0.87 TSHR (0.44) CYP1A2DGKATHRBALDH1A1MAPT
SCHEMBL1033327 0.87 DGKA (0.64) CYP1A2DGKAALDH1A1MAPTTSHR
SCHEMBL813660 0.87 DGKA (0.58) CYP1A2DGKAALDH1A1MAPTHTR2C
SCHEMBL813905 0.87 DGKA (0.58) CYP1A2DGKAALDH1A1MAPTHTR2C
SCHEMBL28922182 0.85 DGKA (0.68) DGKAALDH1A1MAPTTSHRBLM
SCHEMBL12200847 0.83 DGKA (0.59) CYP1A2DGKAALDH1A1MAPTHTR2C
SCHEMBL7590042 0.83 CYP1A2 (0.59) CYP1A2DGKATHRBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 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-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 CYP1A2 102/4885DGKA 2224/4885THRB 2741/4885

“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.