SCHEMBL14557679

SCHEMBL14557679

CCCOc1ccc(-c2cc(F)ccc2F)cc1C(=O)N[C@@H](CO)Cc1cn(C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LCLAT1 Q6UWP7 1/20 0.37
MAPK1 P28482 8/20 0.37
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
RPS6KA4 O75676 1/20 0.36
PRKACA P17612 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
LIMK1 P53667 1/20 0.36
ROCK1 Q13464 1/20 0.36
PRKG1 Q13976 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 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
SCHEMBL14557668 0.92 MEN1 (0.41) PPARGMEN1KMT2AALDH1A1MAPK1
SCHEMBL14557681 0.92 FFAR4 (0.39) PPARGMEN1KMT2AMAPK1ROCK2
SCHEMBL14557669 0.91 PPARG (0.43) PPARGMEN1KMT2AALDH1A1MAPK1
SCHEMBL14557677 0.91 MAPK1 (0.41) PPARGMEN1KMT2AALDH1A1MAPK1
SCHEMBL14557674 0.90 PPARG (0.45) PPARGMEN1KMT2AALDH1A1LCLAT1
SCHEMBL14557713 0.89 PPARG (0.41) PPARGALDH1A1MAPK1ROCK2RPS6KA5
SCHEMBL4602734 0.89 ROCK2 (0.40) PPARGMAPK1ROCK2RPS6KA5RPS6KA4
SCHEMBL14557678 0.89 PPARG (0.39) PPARGMEN1KMT2AALDH1A1MAPK1
SCHEMBL14557672 0.89 PPARG (0.39) PPARGMEN1KMT2AALDH1A1LCLAT1
SCHEMBL14557709 0.88 MAPK1 (0.39) PPARGALDH1A1LCLAT1MAPK1ROCK2

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R PPARG 2181/4885MEN1 410/4885KMT2A 916/4885

“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.