SCHEMBL6902387

SCHEMBL6902387

N#CCc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
IDO1 P14902 2/20 0.40
POLQ O75417 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ANO1 Q5XXA6 3/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PDE2A O00408 1/20 0.36
NLRP3 Q96P20 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KIF11 P52732 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL30970519 0.84 IDO1 (0.53) RXRARXRBRXRGIDO1POLQ
SCHEMBL195125 0.84 IDO1 (0.53) RXRARXRBRXRGIDO1POLQ
SCHEMBL25786471 0.80 DAO (0.43) RXRARXRBRXRGIDO1POLQ
SCHEMBL31454497 0.80 RXRA (0.38) RXRARXRBRXRGIDO1POLQ
SCHEMBL11156664 0.80 RXRA (0.38) RXRARXRBRXRGIDO1POLQ
SCHEMBL5929043 0.80 RXRA (0.51) RXRARXRBRXRGIDO1POLQ
SCHEMBL29492592 0.80 IDO1 (0.53) RXRARXRBRXRGIDO1POLQ
SCHEMBL952712 0.80 IDO1 (0.53) RXRARXRBRXRGIDO1POLQ
SCHEMBL24108423 0.79 ALDH1A1 (0.42) RXRARXRBRXRGIDO1POLQ
SCHEMBL4961852 0.79 MRGPRX4 (0.47) RXRARXRBRXRGIDO1POLQ

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 4 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
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP claimed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP 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 RXRA 181/4885RXRB 363/4885RXRG 175/4885

“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.