SCHEMBL21026101

SCHEMBL21026101

CCCCCCC(CCCCCC)c1ocnc1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.31
SLC2A1 P11166 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL24023229 1.00 NR1I2 (0.33) NR1I2LMNASLC2A1ALDH1A1
SCHEMBL19997545 0.97 ALDH1A1 (0.30) ALDH1A1
SCHEMBL21031499 0.81 NR1I2 (0.32) NR1I2
SCHEMBL21918916 0.76 NR1I2 (0.38) NR1I2
SCHEMBL22313380 0.73 NR1I2 (0.35) NR1I2
SCHEMBL18884177 0.70 CTSK (0.38) NR1I2LMNA
SCHEMBL23999215 0.70 LMNA (0.31) NR1I2LMNA
SCHEMBL21030281 0.70 CTSK (0.38) NR1I2LMNA
SCHEMBL21914535 0.69 DNM1 (0.33) LMNA
SCHEMBL21029979 0.69 DNM1 (0.33) LMNA

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 NR1I2 3204/4885LMNA 4460/4885SLC2A1 2088/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS NR1I2 3204/4885LMNA 4460/4885SLC2A1 2088/4885

“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.