SCHEMBL6153666

SCHEMBL6153666

CC(C)C1=C(OCc2ccccc2)OC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
GLRA1 P23415 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 2/20 0.36
MAOB P27338 4/20 0.36
MAOA P21397 3/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35

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
Pregabalin SCHEMBL6345226 0.83 CACNA2D1 (0.45) GLRA1
SCHEMBL19168590 0.64 MAOB (0.43) MAPK1L3MBTL1PKMMAOBMAOA
SCHEMBL21383038 0.63 MAOB (0.67) ALDH1A1HPGDMAOBMAOA
SCHEMBL10657318 0.63 MAOB (0.52) L3MBTL1PKMMAOBMAOATDP1
SCHEMBL6216372 0.62 MAOB (0.63) LMNAHTTMAPK1TSHRGAA
SCHEMBL25146420 0.60 MAPK1 (0.53) LMNAHTTMAPK1ALDH1A1HPGD
SCHEMBL683595 0.60 L3MBTL1 (0.58) LMNAMAPK1ALDH1A1GAAGLRA1
SCHEMBL28078446 0.60 GLRA1 (0.60) LMNAHTTMAPK1ALDH1A1HPGD
SCHEMBL683554 0.60 RXRA (0.66) LMNAGAAL3MBTL1MAOBMAOA
SCHEMBL8370127 0.60 LMNA (0.53) LMNAHTTMAPK1ALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924377-B2 Process for preparing highly functionalized γ-butyrolactams and γ-amino acids WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
EP-1499583-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS Warner-Lambert Company LLC (US) 2005-01-26 EP disclosed
US-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-25 US disclosed
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids BLAZECKA PETER G (CA) 2003-12-04 US disclosed
WO-2003093220-A1 PROCESS FOR PREPARING HIGHLY FUNCTIONALIZED Y-BUTYROLACTAMS AND Y-AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 WO 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 (2 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-20030236415-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 LMNA 2799/4885HTT 2722/4885MAPK1 2614/4885
US-20030225149-A1 Process for preparing highly functionalized gamma-butyrolactams and gamma-amino acids GABRB2, GABRG2, GABRB1 LMNA 2799/4885HTT 2722/4885MAPK1 2614/4885

“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.