SCHEMBL21030288

SCHEMBL21030288

CC(C)/C=C/c1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
PNMT P11086 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
DHODH Q02127 1/20 0.30
MAPK1 P28482 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
SCHEMBL3435011 0.80 ALDH1A1 (0.44) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL10322765 0.80 ALDH1A1 (0.44) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL14212000 0.72 MAT2A (0.31)
SCHEMBL9967742 0.72 KCNH2 (0.51) CYP1A2ALDH1A1LMNA
SCHEMBL13104870 0.71 SMN1; SMN2 (0.43) CYP3A4CYP1A2CYP2D6NFKB1PNMT
SCHEMBL11340421 0.70 ALDH1A1 (0.38) CYP3A4ALDH1A1MAPK1
SCHEMBL11340423 0.70 ALDH1A1 (0.38) CYP3A4ALDH1A1MAPK1
SCHEMBL5413852 0.69 CYP3A4 (0.36) CYP3A4ALDH1A1MAPK1
SCHEMBL20086552 0.69 P2RX7 (0.42) CYP3A4CYP1A2CYP2D6NFKB1ALDH1A1
SCHEMBL9967775 0.68 CHAT (0.50) ALDH1A1

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 CYP3A4 909/4885CYP1A2 358/4885CYP2D6 196/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS CYP3A4 909/4885CYP1A2 358/4885CYP2D6 196/4885

“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.