SCHEMBL5997690

SCHEMBL5997690

COC(=O)C(CN1C(=O)c2cccc(F)c2C1=O)C1(C)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GRM1 Q13255 8/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GRM4 Q14833 6/20 0.36
TRPA1 O75762 1/20 0.36
GRM7 Q14831 1/20 0.36
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 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
SCHEMBL5996055 0.91 HPGD (0.37) HPGDTSHRMAPK1HDAC4HDAC1
SCHEMBL5998133 0.89 KMT2A (0.37) KMT2AMEN1NPC1RAB9ADDB1
SCHEMBL5998415 0.89 ACHE (0.31) TSHRKMT2AMEN1AVPR1A
SCHEMBL5998689 0.88 TNF (0.38) KMT2AMEN1NPC1RAB9ADDB1
SCHEMBL5998674 0.87 NPSR1 (0.39) HPGDTSHRMAPK1HDAC4HDAC1
SCHEMBL5998700 0.84 ALDH1A1 (0.46) MAPK1KMT2AMEN1ALDH1A1
SCHEMBL5998273 0.82 ALDH1A1 (0.37) HPGDTSHRGRM1KMT2AMEN1
SCHEMBL5997892 0.82 ALDH1A1 (0.38) HPGDKMT2AMEN1RAB9AALDH1A1
SCHEMBL5997107 0.81 ALDH1A1 (0.40) KMT2AMEN1DDB1CRBNKDM4E
SCHEMBL5997311 0.81 MMP1 (0.38) KMT2AMEN1NPC1ALDH1A1AVPR1A

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 HPGD 228/4885TSHR 3901/4885MAPK1 2538/4885

“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.