SCHEMBL6311757

SCHEMBL6311757

Cn1nc(O)cc1-c1ccc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.43
HSD11B1 P28845 3/20 0.40
ESR1 P03372 7/20 0.40
KMO O15229 2/20 0.38
IDO1 P14902 1/20 0.37
AR P10275 1/20 0.35
GRM2 Q14416 1/20 0.35
BCHE P06276 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
PDE2A O00408 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
SCHEMBL6313578 0.84 HSD11B1 (0.49) EGLN2HSD11B1IDO1ALDH1A1MAPT
Benzene SCHEMBL27949779 0.81 HSD11B1 (0.46) EGLN2HSD11B1ALDH1A1MAPTNPC1
SCHEMBL6319050 0.75 KMO (0.43) EGLN2HSD11B1KMOIDO1GRM2
SCHEMBL10356476 0.75 MAPK1 (0.42) ALDH1A1MAPT
SCHEMBL24409170 0.74 PKM (0.50) KMOMAPT
SCHEMBL8486970 0.72 HSD11B1 (0.44) EGLN2HSD11B1ALDH1A1MAPTNPC1
SCHEMBL24409169 0.72 PTGDR2 (0.38) EGLN2KMO
SCHEMBL24425235 0.72 EGFR (0.39) MAPT
SCHEMBL7707702 0.71 KMO (0.42) EGLN2HSD11B1KMOGRM2BCHE
SCHEMBL2342660 0.71 PSEN1 (0.43) ARMAPTNPC1

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-6897322-B2 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-1H-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-24 US disclosed
US-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2004-03-25 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-20040059128-A1 Method of producing 1-alkyl-3-aryl-5-difluoromethoxy-ih-pyrazoles CYP2E1, CYP2F1, CYP1A1 EGLN2 341/4885HSD11B1 77/4885ESR1 3337/4885

“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.