SCHEMBL5249302

SCHEMBL5249302

OCC(O)c1cc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALOX5 P09917 3/20 0.45
CYP1A2 P05177 2/20 0.45
PTGES O14684 1/20 0.45
LMNA P02545 1/20 0.45
LTA4H P09960 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
ALOX5AP P20292 1/20 0.45
LOX P28300 1/20 0.45
EPHX2 P34913 1/20 0.45
PTGS2 P35354 1/20 0.45
LTB4R Q15722 1/20 0.45
ASIC3 Q9UHC3 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43

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
SCHEMBL23257936 0.84 ALOX5 (0.48) CYP2A6DRD1SLC6A2SLC6A4SLC6A3
SCHEMBL4912317 0.84 CYP2A6 (0.50) CYP2A6DRD1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2321931 0.82 CYP2A6 (0.49) CYP2A6DRD1SLC6A2SLC6A4SLC6A3
SCHEMBL23782345 0.81 ALOX5 (0.49) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL21912351 0.81 SLC6A2 (0.47) CYP2A6DRD1SLC6A2SLC6A4SLC6A3
SCHEMBL2963101 0.80 ALOX5 (0.50) CYP2A6ALOX5CYP1A2PTGESLMNA
SCHEMBL18612899 0.80 CYP2A6 (0.50) CYP2A6ALOX5CYP1A2PTGESLMNA
SCHEMBL28019292 0.80 CYP2A6 (0.50) CYP2A6ALOX5CYP1A2PTGESLMNA
SCHEMBL18313546 0.80 CYP2A6 (0.50) CYP2A6ALOX5CYP1A2PTGESLMNA
SCHEMBL24689134 0.80 ALOX5 (0.44) CYP2A6DRD1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406605-B1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORP (KR) 2007-09-19 EP disclosed
EP-1406605-A4 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORP (KR) 2005-10-26 EP disclosed
US-20050065193-A1 Carbamates of 2-heterocyclic-1,2-ethanediols SK CORPORATION 2005-03-24 US disclosed
US-6841569-B2 Carbamates of 2-heterocyclic-1,2-ethanediols SK CORPORATION (US) 2005-01-11 US disclosed
EP-1406605-A1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK Corporation (KR) 2004-04-14 EP disclosed
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols SK BIOPHARMACEUTICALS CO., LTD. (KR) 2003-04-24 US disclosed
WO-2003000247-A1 CARBAMATES OF 2-HETEROCYCLIC-1,2-ETHANEDIOLS SK CORPORATION (KR) 2003-01-03 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-20050065193-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C CYP2A6 362/4885DRD1 102/4885SLC6A2 1992/4885
US-20030078235-A1 Carbamates of 2-heterocyclic-1,2-ethanediols CNR2, CNR1, GRIN2C CYP2A6 362/4885DRD1 102/4885SLC6A2 1992/4885

“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.