SCHEMBL22067596

SCHEMBL22067596

C=C(c1cc(C(F)(F)F)nn1COC)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL18695272 0.76 TP53 (0.45) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL20745023 0.74 KDM4E (0.42) KDM4EPOLBPTGS1PTGS2CYP3A4
SCHEMBL18695216 0.74 TP53 (0.42) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL20763116 0.73 CNR1 (0.35) —
SCHEMBL18695205 0.70 TP53 (0.41) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL27209645 0.69 LMNA (0.40) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL2933232 0.67 GRN (0.61) KDM4EGAA
SCHEMBL12455966 0.67 GRN (0.47) KDM4EGAA
SCHEMBL22637870 0.67 TP53 (0.50) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL20763628 0.64 KDM4E (0.45) KDM4EPOLBCYP3A4

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 TP53 4282/4885L3MBTL1 2376/4885LMNA 2425/4885
US-20200178531-A1 PESTICIDAL AND PARASITICIDAL PYRAZOLE-ISOXAZOLINE COMPOUNDS PRDX1, PRDX5, P2RX7 TP53 4282/4885L3MBTL1 2376/4885LMNA 2425/4885

“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.

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