SCHEMBL5997126

SCHEMBL5997126

COC(=O)C(CN1C(=O)c2ccc(C)cc2C1=O)C1(C)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CHRM2 P08172 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5997985 0.91 ALDH1A1 (0.40) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL5998273 0.89 ALDH1A1 (0.37) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL5997972 0.88 ALDH1A1 (0.36) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL5997123 0.88 ALDH1A1 (0.48) NPC1RAB9AALDH1A1POLBMEN1
SCHEMBL5997711 0.86 TNF (0.41) ALDH1A1MEN1KMT2A
SCHEMBL5997311 0.85 MMP1 (0.38) NPC1ALDH1A1POLBMEN1KMT2A
SCHEMBL5997578 0.85 PKM (0.47) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL5995988 0.85 TNF (0.35) RAB9AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5997630 0.81 ALDH1A1 (0.40) NPC1RAB9AALDH1A1L3MBTL1POLB
SCHEMBL5998133 0.81 KMT2A (0.37) NPC1RAB9AALDH1A1MEN1KMT2A

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.