SCHEMBL5998010

SCHEMBL5998010

COC(=O)C(CN1C(=O)c2ccccc2C1=O)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.48
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL13873451 0.89 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTCA12CA9
SCHEMBL5998859 0.88 TNF (0.43) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL5998387 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1
SCHEMBL5998663 0.86 KMT2A (0.42) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL8431420 0.85 CA12 (0.53) ALDH1A1KMT2ACA12CA9MEN1
SCHEMBL29740350 0.85 CA12 (0.53) ALDH1A1KMT2ACA12CA9MEN1
SCHEMBL5997284 0.85 TNF (0.43) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL5997416 0.84 NPC1 (0.46) ALDH1A1KMT2ACA12CA9NPC1
SCHEMBL5998270 0.84 HDAC4 (0.42) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL5997204 0.84 FGFR1 (0.41) ALDH1A1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114774491-B Method for preparing (2S, 3R) -2- (phthalimidomethyl) -3-hydroxybutyrate 湖州颐盛生物科技有限公司 2024-04-26 CN disclosed
CN-114774491-A Process for preparing (2S,3R) -2- (phthalimidomethyl) -3-hydroxybutyrate 湖州颐盛生物科技有限公司 2022-07-22 CN disclosed
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 216/4885KMT2A 1280/4885MAPT 3262/4885

“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.