SCHEMBL21585745

SCHEMBL21585745

CC(=O)/C(=C\N(C)C)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CYP11B2 P19099 5/20 0.49
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21585737 1.00 CYP11B1 (0.54) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL2513084 0.83 CYP11B1 (0.55) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL2513083 0.83 CYP11B1 (0.55) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL25796691 0.83 CYP11B1 (0.57) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL2703611 0.82 CYP11B1 (0.53) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL14067060 0.82 CYP11B1 (0.53) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL2085764 0.80 CYP11B1 (0.61) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL2085765 0.80 CYP11B1 (0.61) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL3479456 0.78 CYP11B1 (0.63) CYP11B1CES2CES1CYP11B2POLB
SCHEMBL3479454 0.78 CYP11B1 (0.63) CYP11B1CES2CES1CYP11B2POLB

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-11390589-B2 Herbicidally active substituted phenylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 2022-07-19 US disclosed
US-20210317089-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 US disclosed
EP-3802516-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES Bayer Aktiengesellschaft (DE) 2021-04-14 EP disclosed
WO-2019233862-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2019-12-12 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-20210317089-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES DDT, DPYD, GSTP1 CYP11B1 1717/4885CES2 303/4885CES1 436/4885
US-11390589-B2 Herbicidally active substituted phenylpyrimidines DDT, DPYD, GSTP1 CYP11B1 1717/4885CES2 303/4885CES1 436/4885

“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.