SCHEMBL25446929

SCHEMBL25446929

CCC(C)c1ncnn1-c1ccc(OC(F)F)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 1/20 0.33
▸ RXRA P19793 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ CYP17A1 P05093 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALKBH1 Q13686 1/20 0.31
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 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
SCHEMBL23329335 0.88 MBOAT4 (0.34) MBOAT4RXRAGRIN1GRIN2BCYP17A1
SCHEMBL24971615 0.83 MBOAT4 (0.35) MBOAT4RXRAGRIN1GRIN2BCYP17A1
SCHEMBL24083204 0.79 ACACB (0.32) —
SCHEMBL25446823 0.78 HTT (0.30) —
SCHEMBL26422874 0.78 GBA1 (0.34) GRIN1GRIN2B
SCHEMBL29564379 0.70 ACACB (0.40) —
SCHEMBL30159976 0.68 F2RL3 (0.31) —
SCHEMBL18378650 0.67 MBOAT4 (0.45) MBOAT4RXRAGRIN1GRIN2B
SCHEMBL24844496 0.67 MBOAT4 (0.32) MBOAT4ALKBH1
SCHEMBL24845123 0.67 ALKBH1 (0.31) ALKBH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-05-11 — — 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 (1 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-20230142606-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC AMINO COMPOUNDS DDT, ACHE, DDC MBOAT4 4551/4885RXRA 4562/4885GRIN1 240/4885

“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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