SCHEMBL23027211

SCHEMBL23027211

O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1CCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 3/20 0.48
PABPC1 P11940 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 5/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
RGS12 O14924 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.33
MAPK14 Q16539 1/20 0.33
CNR1 P21554 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
SCHEMBL10338047 0.87 KDM4E (0.41) ALDH1A1KMT2APABPC1L3MBTL1KDM4E
SCHEMBL8846019 0.82 TNF (0.33) NPC1RAB9A
SCHEMBL14560532 0.79 PTGS2 (0.39) ALDH1A1KMT2AL3MBTL1HTTMEN1
SCHEMBL10714258 0.76 PTGS1 (0.50) ALDH1A1CNR1
SCHEMBL9290439 0.76 ALDH1A1 (0.42) ALDH1A1KMT2APABPC1L3MBTL1KDM4E
SCHEMBL13417654 0.75 ALDH1A1 (0.48) ALDH1A1KMT2APABPC1L3MBTL1KDM4E
SCHEMBL18535556 0.74 ALDH1A1 (0.31) ALDH1A1KMT2AL3MBTL1MEN1RAB9A
SCHEMBL10935152 0.71 ALDH1A1 (0.54) ALDH1A1KMT2APABPC1L3MBTL1KDM4E
SCHEMBL13187754 0.69 PARK7 (0.44)
SCHEMBL7567498 0.69 F2 (0.43) ALDH1A1KMT2AKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019497-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING FLUORINE-CONTAINING COMPOUND AGC INC. (JP) 2022-06-29 EP disclosed
US-20220177411-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING FLUORINE-CONTAINING COMPOUND AGC Inc. (JP) 2022-06-09 US disclosed
WO-2021033649-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING FLUORINE-CONTAINING COMPOUND AGC株式会社 2021-02-25 WO 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-20220177411-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING FLUORINE-CONTAINING COMPOUND F3, RNF5, POF1B ALDH1A1 3920/4885KMT2A 1843/4885PABPC1 4154/4885

“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.