SCHEMBL5107136

SCHEMBL5107136

CCC(O)c1ccccc1[C@@H](O)CC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.50
PDE2A O00408 1/20 0.42
TRPA1 O75762 1/20 0.40
AOC3 Q16853 3/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 1/20 0.39
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
BLM P54132 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
RIPK1 Q13546 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
SCHEMBL5107130 1.00 LMNA (0.61) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL30172716 1.00 LMNA (0.61) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL5107133 1.00 LMNA (0.61) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL28639572 0.91 LMNA (0.52) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL6055088 0.91 LMNA (0.52) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL5907398 0.87 LMNA (0.54) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL593087 0.85 LMNA (0.52) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL3929484 0.85 LMNA (0.52) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL2990957 0.85 TSHR (0.65) LMNATSHRPDE2ATRPA1AOC3
SCHEMBL30295406 0.85 TSHR (0.65) LMNATSHRPDE2ATRPA1AOC3

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-7465838-B2 Chiral diols, their manufacture and ligands and catalysts derived therefrom CIBA SPECIALTY CHEMICAL CORP. (US) 2008-12-16 US disclosed
US-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom CIBA SPECIALTY CHEMICALS CORP. 2006-02-09 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-20060030737-A1 Chiral diols, their manufacture and ligands and catalysts derived therefrom B2M, CYP4F11, CYP2F1 LMNA 3056/4885TSHR 1755/4885PDE2A 4768/4885

“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.