SCHEMBL3751767

SCHEMBL3751767

[O]c1c(F)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
HSD11B1 P28845 1/20 0.38
PTGS2 P35354 1/20 0.37
CES1 P23141 2/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CES2 O00748 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
NFE2L2 Q16236 2/20 0.35
KAT6A Q92794 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AXL P30530 1/20 0.34
NFKB1 P19838 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL4082901 0.85 CES1 (0.47) CES1KDM4ESMN1; SMN2HSD17B10LMNA
SCHEMBL331592 0.76
SCHEMBL30568365 0.75 TRPA1 (0.47) SLC22A12HSD11B1PTGS2CES1TRPA1
SCHEMBL29551965 0.75 HSD11B1 (0.47) SLC22A12HSD11B1PTGS2CES1CES2
SCHEMBL448487 0.75 HSD11B1 (0.47) SLC22A12HSD11B1PTGS2CES1CES2
SCHEMBL16797132 0.74 TYK2 (0.41) SLC22A12HSD11B1PTGS2CES1KDM4E
SCHEMBL29466225 0.74 SLC22A12 (0.46) SLC22A12HSD11B1LMNAGAAALDH1A1
SCHEMBL169053 0.74 SLC22A12 (0.46) SLC22A12HSD11B1LMNAGAAALDH1A1
Formaldehyde SCHEMBL28254541 0.73 SLC22A12 (0.46) SLC22A12HSD11B1PTGS2LMNAGAA
SCHEMBL7602903 0.73 HSD11B1 (0.41) SLC22A12HSD11B1PTGS2CES1KDM4E

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-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT SLC22A12 4101/4885HSD11B1 244/4885PTGS2 3255/4885

“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.