SCHEMBL5997416

SCHEMBL5997416

COC(=O)C(CN1C(=O)c2ccc(C)cc2C1=O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
CHRM2 P08172 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL5996615 0.89 PIN1 (0.47) NPC1RAB9AALDH1A1L3MBTL1LPAR1
SCHEMBL5998188 0.85 ALDH1A1 (0.40) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL5998277 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5997021 0.85 ALDH1A1 (0.41) NPC1RAB9AALDH1A1L3MBTL1MEN1
SCHEMBL5998010 0.84 ALDH1A1 (0.49) NPC1ALDH1A1MEN1KMT2ACA12
SCHEMBL5998841 0.83 TNF (0.47) NPC1RAB9AALDH1A1L3MBTL1CA12
SCHEMBL5998859 0.82 TNF (0.43) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5998391 0.82 TNF (0.40) RAB9AALDH1A1MEN1KMT2ACA12
SCHEMBL5996035 0.82 NPC1 (0.47) NPC1RAB9AALDH1A1L3MBTL1LPAR1
SCHEMBL5996032 0.82 NPC1 (0.47) NPC1RAB9AALDH1A1L3MBTL1LPAR1

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 NPC1 3283/4885RAB9A 3228/4885ALDH1A1 216/4885

“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.