SCHEMBL5997643

SCHEMBL5997643

CCOC(=O)C(CN1C(=O)c2cc3ccccc3c(-c3ccccc3)c2C1=O)C1(C)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
CHEK1 O14757 1/20 0.36
ALOX5 P09917 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GPR84 Q9NQS5 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 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
SCHEMBL5997622 0.92 MEN1 (0.40) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL5998825 0.92 MEN1 (0.39) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL5997292 0.86 ALDH1A1 (0.43) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL5998815 0.84 MMP1 (0.41) LMNAMEN1KMT2AHPGDGPR84
SCHEMBL5998414 0.83 MEN1 (0.43) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL5998838 0.81 ALDH1A1 (0.38) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL5998656 0.79 ALDH1A1 (0.42) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL5997107 0.79 ALDH1A1 (0.40) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL5997628 0.78 ALDH1A1 (0.34) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL5997892 0.78 ALDH1A1 (0.38) LMNAMEN1KMT2AHPGDALDH1A1

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 LMNA 3634/4885MEN1 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.