SCHEMBL5998399

SCHEMBL5998399

COC(=O)C(C(C)=O)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.32
TNF P01375 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HSD17B3 P37058 1/20 0.30

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
SCHEMBL5998793 0.88 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4KMT2ANPSR1
SCHEMBL5998867 0.83 NPC1 (0.35) SLC6A3TNFSLC6A2SLC6A4NPC1
SCHEMBL5997427 0.81 MEN1 (0.34) NPC1RAB9AKMT2AHTR2AHTR2C
SCHEMBL5998282 0.81 HSD17B3 (0.38) TNFNPC1RAB9AKMT2AHSD17B3
SCHEMBL5997031 0.81 DPP9 (0.36) NPC1RAB9AHSD17B3
SCHEMBL5998849 0.79 HDAC4 (0.36) TNFNPC1RAB9AKMT2A
SCHEMBL5996077 0.75 SLC6A3 (0.32) SLC6A3TNFSLC6A2SLC6A4HTR2A
SCHEMBL5998512 0.74 GABRG2 (0.39) KMT2AHSD17B3
SCHEMBL5998668 0.72 ALDH1A1 (0.37) NPC1RAB9AKMT2ANPSR1
SCHEMBL5997296 0.72 CRBN (0.36) NPC1RAB9AKMT2A

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 SLC6A3 4798/4885TNF 2425/4885SLC6A2 4848/4885

“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.