SCHEMBL19608613

SCHEMBL19608613

CCCCCCCn1nc(SCC(F)(F)F)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CNR2 P34972 3/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL19705467 0.96 RGS4 (0.32) MAPK1MEN1KMT2ACNR2CNR1
SCHEMBL19608723 0.83 PTGS1 (0.37) ALDH1A1MAPK1MEN1KMT2AXBP1
SCHEMBL19608600 0.79 PTGS1 (0.38) ALDH1A1MAPK1MEN1KMT2AXBP1
SCHEMBL17812989 0.78 LIPE (0.35) —
SCHEMBL19608776 0.73 CNR1 (0.34) TNFPTGS1PTGS2MGLLFAAH
SCHEMBL19601484 0.72 LIPE (0.34) —
SCHEMBL19608595 0.72 PTGS1 (0.40) ALDH1A1MAPK1TNFPTGS1PTGS2
SCHEMBL19608724 0.69 PTGS1 (0.42) ALDH1A1MAPK1TNFPTGS1PTGS2
SCHEMBL19608615 0.69 PTGS1 (0.35) MAPK1TNFPTGS1PTGS2MGLL
SCHEMBL10418344 0.68 PTGS1 (0.33) ALDH1A1TNFPTGS1PTGS2MGLL

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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 — — 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 ALDH1A1 4131/4885MAPK1 3503/4885MEN1 3680/4885

“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.

Send feedback