SCHEMBL5997472

SCHEMBL5997472

COC(=O)C(C(C)=O)C(=O)N1Cc2cc3ccccc3c(-c3ccccc3)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 8/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GPR84 Q9NQS5 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TACR2 P21452 3/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5998416 0.90 CYP1A2 (0.36) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL5998867 0.79 NPC1 (0.35) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL5998822 0.77 KDM4E (0.35) TACR3ALDH1A1KDM4EHPGDNPSR1
SCHEMBL5998668 0.74 ALDH1A1 (0.37) ALDH1A1KDM4ENPSR1MEN1KMT2A
SCHEMBL5997296 0.74 CRBN (0.36) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5998469 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL5998275 0.73 POLB (0.34) KDM4EBLMHSD17B10ALOX15HTT
SCHEMBL5997628 0.71 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL5998003 0.69 ALDH1A1 (0.41) ALDH1A1NPSR1MEN1KMT2AL3MBTL1
SCHEMBL5997427 0.69 MEN1 (0.34) ALDH1A1KDM4EHPGDMEN1KMT2A

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 TACR3 3353/4885ALDH1A1 216/4885KDM4E 279/4885

“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.