SCHEMBL7717660

SCHEMBL7717660

CC(C)C(NCC(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PTGS2 P35354 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ECE1 P42892 2/20 0.42
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
CTH P32929 1/20 0.36
EGLN1 Q9GZT9 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32

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
SCHEMBL574632 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL14930533 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL161143 0.78
SCHEMBL31198195 0.76
SCHEMBL203810 0.76
SCHEMBL25407138 0.76
Hydrochloric Acid SCHEMBL5595965 0.76
SCHEMBL16267760 0.76
SCHEMBL16267390 0.76
SCHEMBL16041452 0.75 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPTGS2TDP1

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
WO-2002081413-A2 ONE DIMENSIONAL UNICHEMO PROTECTION (UCP) IN ORGANIC SYNTHESIS CARLSBERG A/S (DK) 2002-10-17 WO claimed
US-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis CARLSBERG A/S (DK) 2002-10-10 US claimed
WO-2002081413-A2 ONE DIMENSIONAL UNICHEMO PROTECTION (UCP) IN ORGANIC SYNTHESIS CARLSBERG A/S (DK) 2002-10-17 WO disclosed
US-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis CARLSBERG A/S (DK) 2002-10-10 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-20020146684-A1 One dimensional unichemo protection (UCP) in organic synthesis UMPS, UROD, URB2 ALDH1A1 569/4885LMNA 1724/4885MAPT 1403/4885

“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.