SCHEMBL4698273

SCHEMBL4698273

COc1ccc2c(Cl)c(C=O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
KDM4E B2RXH2 4/20 0.49
MAPT P10636 1/20 0.49
ERN1 O75460 1/20 0.47
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 1/20 0.45
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CYP2A6 P11509 1/20 0.43
NCF1 P14598 1/20 0.42
NQO1 P15559 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSTP1 P09211 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4698680 0.84 CYP1A2 (0.43) ALDH1A1KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL18425254 0.82 ALDH1A1 (0.54) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL9551201 0.82 ALDH1A1 (0.54) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL12760794 0.81 TRIM24 (0.60) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL28323704 0.81 ALDH1A1 (0.53) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL19812691 0.78 TRIM24 (0.53) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL10470154 0.78 ALDH1A1 (0.50) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL29967129 0.78 TDP1 (0.53) ALDH1A1KDM4EMAPTERN1CYP2A6
SCHEMBL28948948 0.77 CYP1A2 (0.43) ALDH1A1TRIM24TYRTRIM33KDM4E
SCHEMBL29267463 0.77 ALDH1A1 (0.49) ALDH1A1TRIM24TYRTRIM33KDM4E

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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1830841-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP disclosed
WO-2006068992-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 119/4885TRIM24 2447/4885TYR 4766/4885

“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.