SCHEMBL22897809

SCHEMBL22897809

COc1ccc(C(C)OC)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA1A P35348 2/20 0.39
HPGD P15428 1/20 0.38
CYP2A6 P11509 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 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
SCHEMBL31248967 0.83 CYP1A2 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12806649 0.83 CYP1A2 (0.45) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31191670 0.82 MAOB (0.50)
SCHEMBL25358101 0.82 CA1 (0.40) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31191663 0.80 CA12 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19CYP11B1
SCHEMBL22897820 0.80 ADRA2A (0.46) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6795750 0.80 ADRA2A (0.46) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31733818 0.80 CYP2D6 (0.50) CYP2D6ADRA2AADRA1AMEN1MAPK1
SCHEMBL12203806 0.80 LMNA (0.39) CYP2D6CYP1A2CYP2C19ADRA1AHPGD
SCHEMBL22897598 0.78 ALDH1A1 (0.50) CYP2D6CYP3A4CYP11B1CYP11B2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 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 (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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD CYP2D6 1455/4885CYP1A2 378/4885CYP3A4 592/4885

“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.