SCHEMBL19164830

SCHEMBL19164830

CC(F)(F)C(Br)c1ccc(Cl)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ CNR2 P34972 1/20 0.31
▸ SLC6A2 P23975 5/20 0.30
▸ SLC6A4 P31645 5/20 0.30
▸ SLC6A3 Q01959 5/20 0.30
▸ CYP3A4 P08684 4/20 0.30
▸ CYP2D6 P10635 4/20 0.30
▸ KCNH2 Q12809 4/20 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
SCHEMBL19198361 0.86 S1PR1 (0.37) ABL1S1PR1CNR2SLC6A2SLC6A4
SCHEMBL19136132 0.85 S1PR1 (0.33) ABL1S1PR1
SCHEMBL15794726 0.85 AHR (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL21821087 0.75 S1PR1 (0.41) ABL1S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL30457919 0.75 S1PR1 (0.41) ABL1S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL19136220 0.73 ALDH1A1 (0.33) CYP3A4
SCHEMBL19136267 0.73 BRD4 (0.34) ABL1S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL20523420 0.73 BRD4 (0.34) ABL1S1PR1SLC6A2SLC6A4SLC6A3
SCHEMBL1506620 0.72 S1PR1 (0.46) ABL1S1PR1
SCHEMBL28623523 0.72 TRPV4 (0.46) ABL1S1PR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9924717-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-03-27 — — US disclosed
US-9924717-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-03-27 — — US disclosed
US-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 — — US disclosed
US-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 — — 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-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 ABL1 2352/4885S1PR1 3204/4885CNR2 2322/4885

“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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