SCHEMBL3929484

SCHEMBL3929484

CC[C@H](O)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ESR1 P03372 1/20 0.46
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.42
ACP3 P15309 1/20 0.40
ACHE P22303 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE2A O00408 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MC4R P32245 1/20 0.36
TRPA1 O75762 1/20 0.35
AOC3 Q16853 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 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
SCHEMBL593087 1.00 LMNA (0.52) LMNAESR1TSHRGAAACP3
SCHEMBL5107136 0.85 LMNA (0.61) LMNATSHRCYP2D6PDE2AKDM4E
SCHEMBL5107133 0.85 LMNA (0.61) LMNATSHRCYP2D6PDE2AKDM4E
SCHEMBL30172716 0.85 LMNA (0.61) LMNATSHRCYP2D6PDE2AKDM4E
SCHEMBL5107130 0.85 LMNA (0.61) LMNATSHRCYP2D6PDE2AKDM4E
SCHEMBL28599287 0.84 LMNA (0.52) LMNATSHRGAAACP3SLC6A2
SCHEMBL375324 0.83 LMNA (0.43) LMNAESR1TSHRGAASLC6A2
SCHEMBL539922 0.83 ESR1 (0.43) LMNAESR1TSHRGAAACP3
SCHEMBL30271547 0.83 LMNA (0.43) LMNAESR1TSHRGAASLC6A2
SCHEMBL2543874 0.82 ESR1 (0.46) LMNAESR1TSHRGAAACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934159-B1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-03-25 EP disclosed
US-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2009-01-29 US disclosed
EP-1934159-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF SE (DE) 2008-06-25 EP disclosed
WO-2007036570-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2007-04-05 WO disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-1031629-A2 Method of preparation of stereoisomeric carboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2000-08-30 EP 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-20090030235-A1 METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS ADH5, ADH1C, ADH1A LMNA 3099/4885ESR1 3270/4885TSHR 4166/4885

“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.