SCHEMBL5998282

SCHEMBL5998282

COC(=O)C(C(C)=O)C(=O)N1Cc2ccc(Br)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 5/20 0.38
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
CUL4A Q13619 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SMAD3 P84022 2/20 0.33
APAF1 O14727 1/20 0.33
ESR1 P03372 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL5998686 0.88 GABRG2 (0.39) HSD17B3ALDH1A1CUL4ADPP8DPP9
SCHEMBL5997427 0.87 MEN1 (0.34) HSD17B3ALDH1A1NPC1RAB9ADPP8
SCHEMBL5997031 0.86 DPP9 (0.36) HSD17B3NPC1RAB9ADPP8DPP9
SCHEMBL5998849 0.84 HDAC4 (0.36) ALDH1A1NPC1RAB9AKDM4EHTT
SCHEMBL5998867 0.81 NPC1 (0.35) HSD17B3ALDH1A1NPC1RAB9ASDCBP
SCHEMBL5998399 0.81 SLC6A3 (0.32) HSD17B3NPC1RAB9AKMT2ATNF
SCHEMBL5996628 0.76 ALDH1A1 (0.39) HSD17B3ALDH1A1RAB9ADPP8DPP9
SCHEMBL17141805 0.75 SDCBP (0.46) ALDH1A1NPC1RAB9ASDCBPSDC2
SCHEMBL5995998 0.74 GABRG2 (0.39) ALDH1A1DPP8DPP9DPP7KDM4E
SCHEMBL5998512 0.74 GABRG2 (0.39) HSD17B3ALDH1A1KDM4EHTTSMN1; SMN2

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 HSD17B3 38/4885ALDH1A1 216/4885NPC1 3283/4885

“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.