SCHEMBL44341

SCHEMBL44341

CC(=O)OCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
ALDH1A1 P00352 7/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL1785282 0.89 CA2 (0.42) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL22160484 0.89 CA2 (0.42) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL1786267 0.89 MEN1 (0.43) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL22758888 0.87 CA2 (0.41) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL9785523 0.87 CA2 (0.41) CA2ALDH1A1MMP1MMP2MMP9
Alcohol SCHEMBL22129229 0.84 CA2 (0.39) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL13034140 0.83 ALDH1A1 (0.42) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL3691321 0.80 MMP1 (0.44) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL183737 0.79 TSHR (0.44) CA2ALDH1A1MMP1MMP2MMP9
SCHEMBL18030111 0.78 NLRP3 (0.36) CA2ALDH1A1MMP1MMP2MMP9

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
WO-2016132247-A1 FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-08-25 WO disclosed
WO-2011157444-A1 FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION STICHTING DUTCH POLYMER INSTITUTE (NL) 2011-12-22 WO disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA2 826/4885ALDH1A1 617/4885MMP1 2571/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA2 826/4885ALDH1A1 617/4885MMP1 2571/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA2 826/4885ALDH1A1 617/4885MMP1 2571/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA2 826/4885ALDH1A1 617/4885MMP1 2571/4885

“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.