SCHEMBL5996174

SCHEMBL5996174

CCOC(=O)C(CN1C(=O)c2c(F)ccc(F)c2C1=O)C1(C)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.33
PIN4 Q9Y237 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5998415 0.89 ACHE (0.31) KMT2AMEN1TSHROPRK1
SCHEMBL5996858 0.86 PIN1 (0.36) PIN1PIN4ALDH1A1MAPTHTT
SCHEMBL5997630 0.83 ALDH1A1 (0.40) PIN1PIN4ALDH1A1HTTKMT2A
SCHEMBL5997961 0.81 ANPEP (0.38) PIN1PIN4ALDH1A1MAPTHTT
SCHEMBL5998838 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL5996844 0.80 GABRA1 (0.39) PIN1PIN4ALDH1A1MAPTHTT
SCHEMBL5998103 0.80 ALDH1A1 (0.33) ALDH1A1MAPTLMNAHPGDCYP2D6
SCHEMBL5997985 0.80 ALDH1A1 (0.40) PIN1PIN4ALDH1A1MAPTKMT2A
SCHEMBL5997690 0.79 HPGD (0.38) ALDH1A1KMT2AHPGDMEN1TSHR
SCHEMBL5998695 0.79 PIN1 (0.36) PIN1PIN4ALDH1A1MAPTHTT

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 PIN1 1143/4885PIN4 695/4885ALDH1A1 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.