SCHEMBL5997972

SCHEMBL5997972

COC(=O)C(CN1C(=O)c2ccc(Cl)cc2C1=O)C1(C)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ANPEP P15144 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MDM2 Q00987 3/20 0.35
GRM1 Q13255 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 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
SCHEMBL5996844 0.90 GABRA1 (0.39) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL5995988 0.89 TNF (0.35) ALDH1A1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL5998273 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL5997126 0.88 NPC1 (0.41) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL5997123 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL5997711 0.85 TNF (0.41) ALDH1A1MEN1KMT2A
SCHEMBL5997311 0.84 MMP1 (0.38) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL5997578 0.84 PKM (0.47) ALDH1A1MEN1KMT2AL3MBTL1ACHE
SCHEMBL5998111 0.82 TNF (0.35) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL5998415 0.80 ACHE (0.31) MEN1KMT2AANPEPGAAACHE

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 ALDH1A1 216/4885MEN1 3483/4885KMT2A 1280/4885

“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.