SCHEMBL22067477

SCHEMBL22067477

Cn1cc(C(C)(C)C(F)(F)F)c(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CYP2C19 P33261 2/20 0.36
POLB P06746 2/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDH1 O75874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
BRD4 O60885 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
SGK1 O00141 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
SCHEMBL802249 0.84 GAA (0.39) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL15623924 0.84 GAA (0.41) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL13868035 0.78 GAA (0.38) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL12060404 0.78 GAA (0.38) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL26275972 0.76 GAA (0.36) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL17373247 0.74 GAA (0.35) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL21652322 0.73 GAA (0.35) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL12887765 0.72 GAA (0.33) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL26275291 0.72 GAA (0.33) GAACYP2C19POLBCYP3A4LMNA
SCHEMBL26738545 0.72 GAA (0.33) GAACYP2C19POLBCYP3A4LMNA

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-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2023-02-28 US disclosed
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-06-11 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-11589586-B2 Pesticidal and parasiticidal pyrazole-isoxazoline compounds PRDX1, PRDX5, P2RX7 GAA 2614/4885CYP2C19 99/4885POLB 3107/4885
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS PRDX1, PRDX5, P2RX7 GAA 2614/4885CYP2C19 99/4885POLB 3107/4885

“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.