SCHEMBL4698680

SCHEMBL4698680

C=Cc1ccc2cc(OC)ccc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
CYP1A1 P04798 4/20 0.43
CYP1B1 Q16678 4/20 0.43
CYP2A6 P11509 1/20 0.43
NCF1 P14598 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
NQO1 P15559 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFE2L2 Q16236 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4698273 0.84 ALDH1A1 (0.53) CYP1A2CYP1A1CYP1B1CYP2A6NCF1
SCHEMBL5660761 0.78 ALDH1A1 (0.46) CYP1A2CYP1A1CYP1B1CYP2A6NCF1
SCHEMBL6446906 0.77 SIRT2 (0.60) CYP1A2CYP1A1CYP1B1CYP2A6SIRT2
SCHEMBL30567454 0.77 CYP1A2 (0.52) CYP1A2CYP1A1CYP1B1CYP2A6KDM4E
SCHEMBL9065566 0.77 CYP1A2 (0.52) CYP1A2CYP1A1CYP1B1CYP2A6KDM4E
SCHEMBL28168331 0.76 CYP11B1 (0.52) CYP1A2CYP1A1CYP1B1CYP2A6NQO1
SCHEMBL16093963 0.75 CYP1A2 (0.47) CYP1A2CYP1A1CYP1B1CYP2A6KDM4E
SCHEMBL4696866 0.75 ESR1 (0.53) CYP1A2CYP2A6KDM4EKMT2AMEN1
SCHEMBL3823769 0.75 ALDH1A1 (0.52) CYP1A2CYP2A6NCF1KDM4EKMT2A
SCHEMBL4403031 0.74 EGFR (0.55) CYP1A2CYP1A1CYP1B1NCF1NQO1

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
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
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-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 CYP1A2 249/4885CYP1A1 124/4885CYP1B1 95/4885

“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.