SCHEMBL21994583

SCHEMBL21994583

[CH2]Cc1ccc(OC(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ACACB O00763 12/20 0.44
ACACA Q13085 7/20 0.44
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
MLNR O43193 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRNA7 P36544 1/20 0.38

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
SCHEMBL6468241 0.83 ALDH1A1 (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL7992559 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL3939368 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL3929602 0.81 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL31475048 0.81 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL31143209 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL29796918 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL21503513 0.81 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL26962241 0.81 ALDH1A1 (0.45) ALDH1A1ACACBACACAPIK3CDPIK3CA
SCHEMBL20245192 0.80 ACACB (0.46) ALDH1A1ACACBACACAPIK3CDPIK3CA

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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO 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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX ALDH1A1 2558/4885ACACB 2491/4885ACACA 2694/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB ALDH1A1 2740/4885ACACB 1924/4885ACACA 3133/4885

“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.