SCHEMBL5998955

SCHEMBL5998955

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 2/20 0.31
PTPRB P23467 1/20 0.31
PIN1 Q13526 1/20 0.31
PIN4 Q9Y237 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL5997105 0.87 KMT2A (0.40) KMT2AALDH1A1MEN1PIN1PIN4
SCHEMBL5998270 0.87 HDAC4 (0.42) KMT2AHPGDKDM4EALDH1A1RAB9A
SCHEMBL5998937 0.82 NPSR1 (0.39) KMT2AHPGDKDM4EALDH1A1RAB9A
SCHEMBL5996069 0.82 TNF (0.40) CASP3KMT2AALDH1A1RAB9AMEN1
SCHEMBL5998706 0.80 KMT2A (0.33) CASP3KMT2AHPGDKDM4EALDH1A1
SCHEMBL5998716 0.80 KMT2A (0.33) CASP3KMT2AHPGDKDM4EALDH1A1
SCHEMBL5998703 0.80 KMT2A (0.33) CASP3KMT2AHPGDKDM4EALDH1A1
SCHEMBL5998010 0.79 ALDH1A1 (0.49) KMT2AALDH1A1MEN1
SCHEMBL5998663 0.78 KMT2A (0.42) KMT2AHPGDKDM4EALDH1A1RAB9A
SCHEMBL5997021 0.78 ALDH1A1 (0.41) KMT2AHPGDKDM4EALDH1A1RAB9A

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 CASP3 3057/4885KMT2A 1280/4885HPGD 228/4885

“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.