SCHEMBL5998937

SCHEMBL5998937

C=CCOC(=O)C(CN1C(=O)c2c(F)ccc(F)c2C1=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5999178 0.88 NPSR1 (0.45) NPSR1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5997105 0.84 KMT2A (0.40) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL5998955 0.82 CASP3 (0.33) ALDH1A1KDM4EHPGDRAB9AKMT2A
SCHEMBL5997212 0.82 NPSR1 (0.60) NPSR1CYP3A4ALDH1A1MAPTRAB9A
SCHEMBL5997644 0.79 NPSR1 (0.34) NPSR1ALDH1A1MAPTTSHRPOLB
SCHEMBL5997974 0.72 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL5998941 0.71 POLB (0.33) NPSR1ALDH1A1MAPTTSHRPOLB
SCHEMBL5998674 0.70 NPSR1 (0.39) NPSR1ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5538378 0.69 NPSR1 (0.54) NPSR1ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL5998367 0.68 PIN1 (0.42) ALDH1A1MAPTKDM4EHPGDKMT2A

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-7094908-B2 Reduction of carbonyl compounds using the carbonyl reductase of Kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-22 US disclosed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 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-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus CBR1, CBR3, DCXR NPSR1 2849/4885CYP3A4 204/4885ALDH1A1 216/4885

“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.