SCHEMBL5898943

SCHEMBL5898943

COc1cc2c(cc1OC)C(Cc1ccc3ccccc3c1)=NCC2

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.66
KDM4E B2RXH2 3/20 0.62
GLA P06280 1/20 0.62
RCE1 Q9Y256 1/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK10 P53779 3/20 0.54
PKM P14618 1/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAOA P21397 1/20 0.48
PDE10A Q9Y233 4/20 0.46

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
Hydrochloric Acid SCHEMBL5898920 0.99 RAD52 (0.65) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL28028718 0.86 KDM4E (0.78) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL29617588 0.86 RAD52 (0.86) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL2742520 0.86 RAD52 (0.86) RAD52KDM4EGLARCE1ALDH1A1
Hydrochloric Acid SCHEMBL197624 0.85 RAD52 (0.84) RAD52KDM4EGLARCE1ALDH1A1
Hydrochloric Acid SCHEMBL29976040 0.85 RAD52 (0.84) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL29590699 0.85 KDM4E (0.71) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL5898937 0.85 KDM4E (0.71) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL2742532 0.84 RAD52 (0.74) RAD52KDM4EGLARCE1ALDH1A1
Hydrochloric Acid SCHEMBL5898909 0.84 KDM4E (0.73) RAD52KDM4EGLARCE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058346-A1 Novel enantiomers of etrahydroisoquinoline derivatives and theirpharmaceutically acceptable salts, their preparations and pharmaceutical compositions YUN-CHOI HYE-SOOK 2006-03-16 US disclosed
EP-1507764-A4 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2005-06-22 EP disclosed
EP-1507764-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS Yun-Choi, Hye-Sook (KR) 2005-02-23 EP disclosed
WO-2003095426-A1 NOVEL ENANTIOMERS OF TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS YUN-CHOI HYE-SOOK (KR) 2003-11-20 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 (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-20060058346-A1 Novel enantiomers of etrahydroisoquinoline derivatives and theirpharmaceutically acceptable salts, their preparations and pharmaceutical compositions TBXA2R, NOS2, TBXAS1 RAD52 2716/4885KDM4E 3490/4885GLA 4851/4885

“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.