SCHEMBL21030286

SCHEMBL21030286

CCC(O)c1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
RECQL P46063 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
DRD3 P35462 3/20 0.34
DRD2 P14416 2/20 0.34
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
AOC3 Q16853 1/20 0.31
HIF1A Q16665 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
EGFR P00533 1/20 0.30
ESR1 P03372 1/20 0.30
ERBB2 P04626 1/20 0.30
CYP1A2 P05177 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
SCHEMBL2420459 0.84 MET (0.38) LMNARECQLLCKFYNKDR
SCHEMBL2422707 0.80 LMNA (0.46) LMNARECQLTAS1R3TAS1R1TAS1R2
SCHEMBL21030287 0.79 GRN (0.33) CYP3A4MAPK1DRD3DRD2ADRB2
SCHEMBL19832128 0.79 SLC6A2 (0.33) CYP3A4MAPK1SLC6A2SLC6A4
SCHEMBL7153604 0.78 TAAR1 (0.39) LMNARECQLCYP3A4MAPK1DRD2
SCHEMBL2421537 0.77 CYP3A4 (0.40) LMNARECQLCYP3A4MAPK1DRD3
SCHEMBL3843331 0.74 RECQL (0.34) LMNARECQLCYP3A4SLC6A2SLC6A4
SCHEMBL6453267 0.72 GAA (0.41) LMNARECQLDRD3DRD2MEN1
SCHEMBL17858532 0.72 PDE2A (0.44) ADRB2ADRA2AADRA2CADRA1AKCNH2
SCHEMBL5118561 0.72 ALDH1A1 (0.44) LMNARECQLTAS1R3TAS1R1TAS1R2

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 3 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
EP-3490985-B1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-08-05 EP 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 LMNA 4460/4885RECQL 244/4885TAS1R3 2781/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS LMNA 4460/4885RECQL 244/4885TAS1R3 2781/4885

“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.