SCHEMBL6450413

SCHEMBL6450413

CN(C)Cc1cc(F)c(F)cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
KDM4E B2RXH2 3/20 0.74
MAPT P10636 3/20 0.74
TDP1 Q9NUW8 3/20 0.74
MEN1 O00255 2/20 0.74
POLB P06746 2/20 0.74
THRB P10828 2/20 0.74
KMT2A Q03164 2/20 0.74
HKDC1 Q2TB90 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
GAA P10253 2/20 0.74
G6PD P11413 1/20 0.74
PABPC1 P11940 1/20 0.74
ALOX15 P16050 2/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL11127980 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL4467416 0.81 ALDH1A1 (0.90) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL5804362 0.78 KDM4E (0.68) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL24582730 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL8389821 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL11272081 0.76 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL7292985 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL6128132 0.74 KDM4E (0.61) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL12806791 0.73 BACE1 (0.45) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL11792241 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903239-B2 Fluorinated benzaldehydes BAYER CHEMICAL AKTIENGESELLSCHAFT (DE) 2005-06-07 US claimed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
US-20040133043-A1 Fluorinated benzaldehydes LANXESS DEUTSCHLAND GMBH (DE) 2004-07-08 US claimed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP claimed
EP-1428814-A1 Fluorine containing benzaldehydes Bayer Chemicals AG (DE) 2004-06-16 EP claimed
US-6903239-B2 Fluorinated benzaldehydes BAYER CHEMICAL AKTIENGESELLSCHAFT (DE) 2005-06-07 US disclosed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
US-20040133043-A1 Fluorinated benzaldehydes LANXESS DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP disclosed
EP-1428814-A1 Fluorine containing benzaldehydes Bayer Chemicals AG (DE) 2004-06-16 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 (2 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-20040133043-A1 Fluorinated benzaldehydes PFAS, FIP1L1, AFF2 ALDH1A1 25/4885KDM4E 1421/4885MAPT 2360/4885
US-20040171864-A1 Fluorinated aromatics AFF1, AFF2, AFF4 ALDH1A1 1595/4885KDM4E 585/4885MAPT 1012/4885

“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.