SCHEMBL21031040

SCHEMBL21031040

CCCCCCC(CCCC)c1oncc1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DNM1 Q05193 2/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL25106797 0.84 CYP19A1 (0.36) CYP19A1CYP2C9CYP2C19
SCHEMBL25954461 0.81 NR1I2 (0.36) CYP19A1CYP2C9CYP2C19NR1I2
SCHEMBL21914535 0.71 DNM1 (0.33) DNM1
SCHEMBL24673961 0.69 DNM1 (0.30) DNM1
SCHEMBL19853485 0.69 CYP1A2 (0.38) CYP19A1CYP2C9CYP2C19DNM1NR1I2
SCHEMBL21029979 0.68 DNM1 (0.33) DNM1
SCHEMBL21026101 0.68 NR1I2 (0.33) NR1I2
SCHEMBL24023229 0.68 NR1I2 (0.33) NR1I2
SCHEMBL18672332 0.68 DNM1 (0.33) DNM1NR1I2
SCHEMBL21755114 0.68 NR1I2 (0.36) DNM1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 US disclosed
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 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 (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-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS CYP19A1 1266/4885CYP2C9 266/4885CYP2C19 394/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS CYP19A1 1266/4885CYP2C9 266/4885CYP2C19 394/4885

“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.