SCHEMBL6319835

SCHEMBL6319835

CNCC(O)c1ccc(OCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HIF1A Q16665 5/20 0.56
KDM4E B2RXH2 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
BLM P54132 3/20 0.56
HTR1A P08908 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
THPO P40225 1/20 0.56
NMUR2 Q9GZQ4 1/20 0.56
CYP2C9 P11712 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
ADRB2 P07550 4/20 0.47
ADRB1 P08588 4/20 0.47
ADRB3 P13945 4/20 0.47
CYP3A4 P08684 4/20 0.47
MAPT P10636 3/20 0.47
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL9179848 0.79 AOC3 (0.71) ALDH1A1HIF1AKDM4ETDP1BLM
SCHEMBL3149027 0.79 AOC3 (0.71) ALDH1A1HIF1AKDM4ETDP1BLM
SCHEMBL11577699 0.78 ALDH1A1 (0.56) ALDH1A1HIF1AKDM4ETDP1BLM
Hydrochloric Acid SCHEMBL3654770 0.77 AOC3 (0.69) ALDH1A1HIF1AKDM4ETDP1BLM
SCHEMBL6317820 0.77 AOC3 (0.49) ALDH1A1HIF1ASMN1; SMN2CYP3A4MEN1
SCHEMBL2296971 0.76 HIF1A (0.56) ALDH1A1HIF1AKDM4ETDP1BLM
SCHEMBL2295812 0.76 HIF1A (0.56) ALDH1A1HIF1AKDM4ETDP1BLM
SCHEMBL25101171 0.76 KDM4E (0.59) ALDH1A1HIF1AKDM4ETDP1BLM
SCHEMBL6637526 0.75 NR1I2 (0.46) ALDH1A1SMN1; SMN2CYP3A4RECQLNR1I2
SCHEMBL5551011 0.74 RAB9A (0.54) ALDH1A1KDM4ETDP1SMN1; SMN2ADRB2

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-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP claimed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO claimed
US-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES 2005-11-03 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 ALDH1A1 1593/4885HIF1A 1264/4885KDM4E 1156/4885
US-20050245534-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ALDH1A1 157/4885HIF1A 1751/4885KDM4E 3313/4885

“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.