SCHEMBL6909211

SCHEMBL6909211

CC(=O)OCc1cc(OC(F)(F)F)ccc1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.46
AKT1 P31749 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
KDM4E B2RXH2 3/20 0.40
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
PTGER4 P35408 1/20 0.37
GLS O94925 1/20 0.37

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
SCHEMBL15780081 0.87 AKT1 (0.50) CXCR2AKT1LMNANPC1PKM
SCHEMBL10908806 0.82 ALDH1A1 (0.50) LMNAHTTKDM4EKMT2AALDH1A1
SCHEMBL13197063 0.82 CXCR2 (0.46) CXCR2AKT1LMNANPC1PKM
SCHEMBL6902374 0.81 ELANE (0.47) CXCR2AKT1KDM4EPOLBPPARD
SCHEMBL24436869 0.81 AURKA (0.42) CXCR2LMNANPC1PKMHTT
SCHEMBL1901977 0.78 ALDH1A1 (0.45) AKT1RAB9AKDM4EGAAKMT2A
SCHEMBL4842042 0.77 CYP3A4 (0.47) AKT1RAB9AKDM4EGAAALDH1A1
SCHEMBL28471951 0.77 TNFSF11 (0.47) RAB9AKDM4EGAAALDH1A1CYP2C19
SCHEMBL4841858 0.76 ALDH1A1 (0.54) HTTKDM4EKMT2AALDH1A1HPGD
SCHEMBL11324429 0.75 ALDH1A1 (0.39) AKT1RAB9AKDM4EGAAUSP2

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-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 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-20040171864-A1 Fluorinated aromatics AFF1, AFF2, AFF4 CXCR2 4840/4885AKT1 3874/4885LMNA 1172/4885

“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.