SCHEMBL5997628

SCHEMBL5997628

CCOC(=O)C(CC(=O)N1Cc2cc3ccccc3c(-c3ccccc3)c2C1=O)C1(C)OCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5998822 0.92 KDM4E (0.35) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL5998416 0.78 CYP1A2 (0.36) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL5997643 0.78 LMNA (0.40) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL5997622 0.78 MEN1 (0.40) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL5998656 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL5997292 0.71 ALDH1A1 (0.43) ALDH1A1KDM4EGAAGLAL3MBTL1
SCHEMBL5997176 0.71 TSHR (0.39) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL5997472 0.71 TACR3 (0.39) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL5998838 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL5998332 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EGAAGLAMAPT

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 ALDH1A1 216/4885KDM4E 279/4885GAA 1932/4885

“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.