SCHEMBL18503586

SCHEMBL18503586

CC(C)Oc1ccc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(Cl)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 12/20 0.39
▸ POLB P06746 1/20 0.38
▸ FFAR2 O15552 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDE2A O00408 1/20 0.36

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
SCHEMBL17917769 0.90 PTGES (0.38) PTGESPOLBFFAR2SCN9AKCNK3
SCHEMBL18503585 0.90 POLB (0.46) PTGESPOLBSCN9AMAPTABL1
SCHEMBL16771911 0.86 P2RX7 (0.45) PTGESSCN9A
SCHEMBL16771948 0.85 AKR1C3 (0.41) PTGESPOLB
SCHEMBL18503588 0.84 P2RX7 (0.46) —
SCHEMBL16760327 0.84 P2RX7 (0.40) PTGESPOLB
SCHEMBL18503633 0.83 PTGES (0.38) PTGESPOLBSCN9AMAPT
SCHEMBL18503613 0.82 POLB (0.43) PTGESPOLBSCN9AKCNK3KCNK9
SCHEMBL18503625 0.81 CHRM3 (0.40) PTGESSCN9A
SCHEMBL19566547 0.81 CHRM3 (0.45) PTGESPOLBKCNK3KCNK9MAPT

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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — US disclosed
US-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES BAYER ANIMAL HEALTH GMBH (DE) 2017-02-16 — — 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-20170044104-A1 NEW PESTICIDAL COMPOUNDS AND USES ACHE, DDT, DNPH1 PTGES 679/4885POLB 4640/4885FFAR2 1903/4885

“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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