SCHEMBL5997311

SCHEMBL5997311

COC(=O)C(CN1C(=O)c2cc3ccccc3cc2C1=O)C1(C)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.38
MMP9 P14780 9/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TNF P01375 1/20 0.38
MMP3 P08254 8/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
AVPR1A P37288 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MAPT P10636 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
SCHEMBL5995988 0.86 TNF (0.35) TNFKMT2AMEN1AVPR1AALDH1A1
SCHEMBL5998273 0.85 ALDH1A1 (0.37) MMP1MMP3KMT2AMEN1ALDH1A1
SCHEMBL5997126 0.85 NPC1 (0.41) KMT2AMEN1ALDH1A1NPC1POLB
SCHEMBL5998825 0.85 MEN1 (0.39) MMP1MMP9MMP3KMT2AMEN1
SCHEMBL5997892 0.85 ALDH1A1 (0.38) MMP1MMP3KMT2AMEN1AVPR1A
SCHEMBL5997972 0.84 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1NPC1POLB
SCHEMBL5997123 0.84 ALDH1A1 (0.48) MMP1MMP3KMT2AMEN1ALDH1A1
SCHEMBL5998394 0.83 ACHE (0.40) KMT2AMEN1AVPR1AALDH1A1MMP2
SCHEMBL5997711 0.83 TNF (0.41) MMP1TNFMMP3KMT2AMEN1
SCHEMBL5998133 0.82 KMT2A (0.37) KMT2AMEN1AVPR1AALDH1A1NPC1

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 MMP1 1625/4885MMP9 2230/4885DRD2 3742/4885

“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.