SCHEMBL3759878

SCHEMBL3759878

O=C(O)c1c(C(F)(F)F)cc(-c2cc(F)cc(F)c2)nc1Oc1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPRS1 P07814 2/20 0.38
PTGFR P43088 13/20 0.35
PTGER1 P34995 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
SCHEMBL8215300 0.92 ALDH1A1 (0.39) ALDH1A1L3MBTL1EPRS1PTGFR
SCHEMBL13053997 0.88 ALDH1A1 (0.39) ALDH1A1L3MBTL1EPRS1PTGFR
SCHEMBL3752012 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL3754265 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1
SCHEMBL830844 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1
SCHEMBL833331 0.73 ALDH1A1 (0.41) ALDH1A1L3MBTL1
SCHEMBL831624 0.73 EPRS1 (0.48) ALDH1A1L3MBTL1EPRS1
SCHEMBL830819 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1
SCHEMBL8209904 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL3757232 0.71 ALDH1A1 (0.42) ALDH1A1L3MBTL1

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
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 US disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 ALDH1A1 1855/4885L3MBTL1 2518/4885EPRS1 2973/4885

“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.