SCHEMBL5997622

SCHEMBL5997622

CCOC(=O)C(CCN1C(=O)c2cc3ccccc3c(-c3ccccc3)c2C1=O)C1(C)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 13/20 0.39
MMP9 P14780 13/20 0.39
MMP3 P08254 10/20 0.39
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHEK1 O14757 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5998815 0.92 MMP1 (0.41) MEN1KMT2ALMNAHPGDMMP1
SCHEMBL5997643 0.92 LMNA (0.40) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL5998656 0.87 ALDH1A1 (0.42) MEN1KMT2ALMNAHPGDMMP1
SCHEMBL5998825 0.84 MEN1 (0.39) MEN1KMT2ALMNAHPGDMMP1
SCHEMBL5997176 0.82 TSHR (0.39) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL5998320 0.79 MMP1 (0.38) LMNAHPGDMMP1MMP9MMP3
SCHEMBL5998414 0.78 MEN1 (0.43) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL5997292 0.78 ALDH1A1 (0.43) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL5997628 0.78 ALDH1A1 (0.34) MEN1KMT2ALMNAHPGDMAPT
SCHEMBL5996133 0.77 DRD2 (0.40) MEN1KMT2ALMNAHPGDMAPT

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 MEN1 3483/4885KMT2A 1280/4885LMNA 3634/4885

“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.