SCHEMBL5997296

SCHEMBL5997296

COC(=O)C(C(C)=O)C(=O)N1Cc2cccc(O)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HPN P05981 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
KDR P35968 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL5998128 0.88 ALOX15 (0.41) CRBNRAB9AALDH1A1ALOX15KMT2A
SCHEMBL5998668 0.88 ALDH1A1 (0.37) NPC1RAB9AALDH1A1TDP1HSD17B10
SCHEMBL5998275 0.87 POLB (0.34) NPC1RAB9ATDP1HSD17B10ALOX15
SCHEMBL5998003 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1USP2MAPT
SCHEMBL5998423 0.77 ALOX15 (0.41) NPC1RAB9AALDH1A1TDP1HSD17B10
SCHEMBL5998722 0.77 MAPK1 (0.42) NPC1RAB9AALDH1A1ALOX15KMT2A
SCHEMBL5997988 0.75 ALOX15 (0.40) ALDH1A1ALOX15KMT2AMEN1MAPT
SCHEMBL5998867 0.75 NPC1 (0.35) NPC1RAB9AALDH1A1ALOX15KMT2A
SCHEMBL5998959 0.74 NOTUM (0.32) KMT2AMEN1
SCHEMBL5997472 0.74 TACR3 (0.39) ALDH1A1HSD17B10ALOX15KMT2AMEN1

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 CRBN 1360/4885NPC1 3283/4885RAB9A 3228/4885

“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.