SCHEMBL5996663

SCHEMBL5996663

COC(=O)[C@H](CN1C(=O)c2ccc(F)cc2C1=O)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
RAB9A P51151 8/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
TRPA1 O75762 1/20 0.40
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
NPC1 O15118 7/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5996784 1.00 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4EHPGDTRPA1
SCHEMBL5996665 1.00 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4EHPGDTRPA1
SCHEMBL5998749 0.89 PIN1 (0.43) ALDH1A1RAB9AKDM4EHPGDTRPA1
SCHEMBL5997869 0.89 PIN1 (0.43) ALDH1A1RAB9AKDM4EHPGDTRPA1
SCHEMBL5997875 0.89 PIN1 (0.43) ALDH1A1RAB9AKDM4EHPGDTRPA1
SCHEMBL5998520 0.86 NPC1 (0.47) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5996032 0.86 NPC1 (0.47) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5996035 0.86 NPC1 (0.47) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL7266878 0.84 ALDH1A1 (0.50) ALDH1A1RAB9AKMT2ANPC1MAPK1
SCHEMBL29740352 0.84 ALDH1A1 (0.50) ALDH1A1RAB9AKMT2ANPC1MAPK1

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 claimed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 US claimed

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 216/4885RAB9A 3228/4885KDM4E 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.