SCHEMBL5996069

SCHEMBL5996069

COC(=O)C(CN1C(=O)c2c(Cl)ccc(Cl)c2C1=O)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.35
PIN1 Q13526 1/20 0.34
PIN4 Q9Y237 1/20 0.34
ACHE P22303 1/20 0.33
ELANE P08246 1/20 0.33
SLC6A3 Q01959 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.33
CASP3 P42574 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.32
CHRM5 P08912 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL5998367 0.87 PIN1 (0.42) TNFPIN1PIN4SLC6A3TSHR
SCHEMBL5998955 0.82 CASP3 (0.33) RAB9APIN1PIN4ACHETSHR
SCHEMBL5998391 0.82 TNF (0.40) TNFRAB9APIN1PIN4ALDH1A1
SCHEMBL5998010 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL5998188 0.78 ALDH1A1 (0.40) RAB9AL3MBTL1TSHRALDH1A1KMT2A
SCHEMBL5998663 0.78 KMT2A (0.42) RAB9AL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5997284 0.77 TNF (0.43) TNFRAB9AALDH1A1KMT2AMEN1
SCHEMBL5998111 0.77 TNF (0.35) TNFRAB9AACHESLC6A3L3MBTL1
SCHEMBL5998270 0.76 HDAC4 (0.42) RAB9ATSHRALDH1A1KMT2AMEN1
SCHEMBL5997204 0.75 FGFR1 (0.41) ACHEL3MBTL1ALDH1A1KMT2AMAPT

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 TNF 2425/4885RAB9A 3228/4885PIN1 1143/4885

“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.